天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 93-85-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 93-85-6
Chemical Structure| 93-85-6
Structure of 93-85-6 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 93-85-6 ]

Related Doc. of [ 93-85-6 ]

Alternatived Products of [ 93-85-6 ]
Product Citations

Product Details of [ 93-85-6 ]

CAS No. :93-85-6 MDL No. :MFCD00054180
Formula : C8H6N2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :ZEAKWWWXCZMODH-UHFFFAOYSA-N
M.W : 194.21 Pubchem ID :66740
Synonyms :

Calculated chemistry of [ 93-85-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.98
TPSA : 104.45 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.43 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.19
Log Po/w (XLOGP3) : 1.48
Log Po/w (WLOGP) : 1.58
Log Po/w (MLOGP) : 0.85
Log Po/w (SILICOS-IT) : 1.76
Consensus Log Po/w : 1.37

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.42
Solubility : 0.734 mg/ml ; 0.00378 mol/l
Class : Soluble
Log S (Ali) : -3.28
Solubility : 0.102 mg/ml ; 0.000524 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.99
Solubility : 2.0 mg/ml ; 0.0103 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.92

Safety of [ 93-85-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 93-85-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 93-85-6 ]

[ 93-85-6 ] Synthesis Path-Upstream   1~15

  • 1
  • [ 68867-21-0 ]
  • [ 93-85-6 ]
YieldReaction ConditionsOperation in experiment
59% at 100℃; for 6 h; (2) 2-amino-benzo[d]thiazole-6-carboxylic and:; 13.0g (0.07mol) 4-amino-3-thiocyano-benzonitrile was weighed, dissolved in 120ml water, stirred uniformly, added with 60ml concentrated hydrochloric acid, reacted under refluxing and stirring at about 100°C for 6h. After the reaction, the reaction mixture was stood, filtered to obtain a precipitated solid, and dried out to obtain a light yellow solid product 8.5g (59.0percent). mp 280-282°C. 1H-NMR (ppm, d6-DMSO) δ: 7.45(d, J=8.40 Hz,1H), 7.67(dd,J1= 8.40Hz, J2=1.68Hz, 1H), 8.22 (d,J=1.68 Hz,1H),8.51(br-s, 2H,NH2).
59% at 100℃; for 6 h; (2)
2-amino-benzo[d]thiazole-6-carboxylic acid
13.0 g (0.07 mol) 4-amino-3-thiocyano-benzonitrile was weighed, dissolved in 120 ml water, stirred uniformly, added with 60 ml concentrated hydrochloric acid, reacted under refluxing and stirring at about 100° C. for 6 h.
After the reaction, the reaction mixture was stood, filtered to obtain a precipitated solid, and dried out to obtain a light yellow solid product 8.5 g (59.0percent).
mp 280-282° C. 1H-NMR (ppm, d6-DMSO) δ: 7.45 (d, J=8.40 Hz, 1H), 7.67 (dd, J1=8.40 Hz, J2=1.68 Hz, 1H), 8.22 (d, J=1.68 Hz, 1H), 8.51 (br-s, 2H, NH2).
59% With hydrogenchloride In water at 100℃; for 6 h; Weigh 13.0 g (0.07 mol) of 4-amino-3-thiocyano-benzonitrile,Dissolve in 120ml water, stir evenly, add 60ml concentrated hydrochloric acid,The reaction was stirred under reflux at about 100 ° C for 6 h. After the reaction was completed, it was allowed to stand.The solid was separated by filtration and dried to give 8.5 g (59.0percent).
Reference： [1] Patent: EP2354136, 2011, A1, . Location in patent: Page/Page column 16
[2] Patent: US2011/319423, 2011, A1, . Location in patent: Page/Page column 10
[3] Patent: CN109419802, 2019, A, . Location in patent: Paragraph 0155; 0159
  • 2
  • [ 540-72-7 ]
  • [ 150-13-0 ]
  • [ 93-85-6 ]
YieldReaction ConditionsOperation in experiment
42% With bromine In methanol at -10 - -5℃; for 2 h; Synthesis of 2-aminobenzothiazole-6-carbolic Acid(2)NaSCN (65 g, 0.8 mol) was added to a suspension of commercially available 4-amino-benzoic acid (1, 100 g, 0.73 mol) in MeOH followed by the addition of Br2 (38 ml, 0.73 mol) in portions. The above solution was allowed to cool to -10° C. and stirred for 2 h while keeping the inner temperature below -5° C. The precipitate was then filtered and suspended in 350 ml of 1 M HCl. The suspension was heated to reflux for 30 min. After immediate filtration, 150 ml concd HCl was added to the hot filtrate to give 70 g (yield 42percent) of 2-amino-benzothiazole-6-carboxylic acid (2) (as a white solid), which was dried and used without further purification.
Reference： [1] Patent: US2009/123373, 2009, A1, . Location in patent: Page/Page column 14-15
  • 3
  • [ 333-20-0 ]
  • [ 150-13-0 ]
  • [ 93-85-6 ]
Reference： [1] Synlett, 2012, vol. 23, # 15, p. 2219 - 2222
[2] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1991, vol. 30, # 5, p. 494 - 498
[3] Patent: WO2010/62171, 2010, A2, . Location in patent: Page/Page column 156
[4] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 23, p. 5561 - 5565
[5] Patent: KR2018/81285, 2018, A, . Location in patent: Paragraph 0132; 0144-0147
  • 4
  • [ 50850-93-6 ]
  • [ 93-85-6 ]
Reference： [1] Journal of the Chemical Society, 1927, p. 1190
[2] Collection of Czechoslovak Chemical Communications, 1962, vol. 27, p. 1533 - 1548
[3] Patent: US5968942, 1999, A,
[4] Patent: US6046190, 2000, A,
  • 5
  • [ 150-13-0 ]
  • [ 93-85-6 ]
Reference： [1] Patent: US5710012, 1998, A,
  • 6
  • [ 66947-92-0 ]
  • [ 93-85-6 ]
Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 17, p. 4982 - 4986
  • 7
  • [ 873-74-5 ]
  • [ 93-85-6 ]
Reference： [1] Patent: EP2354136, 2011, A1,
[2] Patent: US2011/319423, 2011, A1,
[3] Patent: CN109419802, 2019, A,
  • 8
  • [ 150-13-0 ]
  • [ 93-85-6 ]
Reference： [1] Letters in Drug Design and Discovery, 2011, vol. 8, # 9, p. 717 - 724
[2] Letters in Drug Design and Discovery, 2011, vol. 8, # 8, p. 717 - 724
  • 9
  • [ 18330-64-8 ]
  • [ 93-85-6 ]
Reference： [1] Letters in Drug Design and Discovery, 2011, vol. 8, # 9, p. 717 - 724
[2] Letters in Drug Design and Discovery, 2011, vol. 8, # 8, p. 717 - 724
  • 10
  • [ 20600-51-5 ]
  • [ 93-85-6 ]
Reference： [1] Yakugaku Zasshi, 1946, vol. 66, p. Ausg. B, S. 75[2] Chem.Abstr., 1952, p. 112
  • 11
  • [ 1147550-11-5 ]
  • [ 150-13-0 ]
  • [ 93-85-6 ]
Reference： [1] Justus Liebigs Annalen der Chemie, 1947, vol. 558, p. 10,30
[2] Arzneimittel Forschung, 1952, vol. 2, p. 455,460
  • 12
  • [ 2536-91-6 ]
  • [ 93-85-6 ]
Reference： [1] Yakugaku Zasshi, 1946, vol. 66, p. Ausg. B, S. 75[2] Chem.Abstr., 1952, p. 112
  • 13
  • [ 23051-16-3 ]
  • [ 93-85-6 ]
Reference： [1] Journal of the Chemical Society, 1927, p. 1190
  • 14
  • [ 94-09-7 ]
  • [ 93-85-6 ]
Reference： [1] Collection of Czechoslovak Chemical Communications, 1962, vol. 27, p. 1533 - 1548
  • 15
  • [ 15192-76-4 ]
  • [ 150-13-0 ]
  • [ 93-85-6 ]
Reference： [1] Yakugaku Zasshi, 1946, vol. 66, p. Ausg. B, S. 75[2] Chem.Abstr., 1952, p. 112
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 93-85-6 ]

Amines

Chemical Structure| 50850-93-6

[ 50850-93-6 ]

Ethyl 2-aminobenzo[d]thiazole-6-carboxylate

Similarity: 0.94

Chemical Structure| 71224-95-8

[ 71224-95-8 ]

2-Aminobenzo[d]thiazole-7-carboxylic acid

Similarity: 0.94

Chemical Structure| 436088-66-3

[ 436088-66-3 ]

2-Methoxyethyl 2-aminobenzo[d]thiazole-6-carboxylate

Similarity: 0.93

Chemical Structure| 209459-11-0

[ 209459-11-0 ]

Methyl 2-aminobenzo[d]thiazole-7-carboxylate

Similarity: 0.90

Chemical Structure| 66947-92-0

[ 66947-92-0 ]

Methyl 2-amino-1,3-benzothiazole-6-carboxylate

Similarity: 0.85

Carboxylic Acids

Chemical Structure| 71224-95-8

[ 71224-95-8 ]

2-Aminobenzo[d]thiazole-7-carboxylic acid

Similarity: 0.94

Chemical Structure| 677304-83-5

[ 677304-83-5 ]

Benzo[d]thiazole-7-carboxylic acid

Similarity: 0.83

Chemical Structure| 3855-95-6

[ 3855-95-6 ]

2-Chloro-6-benzothiazolecarboxylic acid

Similarity: 0.81

Chemical Structure| 30132-15-1

[ 30132-15-1 ]

2-(2-Aminobenzo[d]thiazol-6-yl)acetic acid

Similarity: 0.79

Chemical Structure| 22514-58-5

[ 22514-58-5 ]

2-Bromobenzo[d]thiazole-6-carboxylic acid

Similarity: 0.79

; ;