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[ CAS No. 63012-97-5 ] {[proInfo.proName]}

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HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 63012-97-5
Chemical Structure| 63012-97-5
Structure of 63012-97-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 63012-97-5 ]

CAS No. :63012-97-5 MDL No. :MFCD03701635
Formula : C6H8OS Boiling Point : -
Linear Structure Formula :- InChI Key :OQVAOEIMSKZGAL-UHFFFAOYSA-N
M.W : 128.19 Pubchem ID :526618
Synonyms :

Calculated chemistry of [ 63012-97-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.33
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 35.4
TPSA : 38.44 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.06
Log Po/w (XLOGP3) : 1.9
Log Po/w (WLOGP) : 2.31
Log Po/w (MLOGP) : 1.11
Log Po/w (SILICOS-IT) : 2.27
Consensus Log Po/w : 1.93

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.23
Solubility : 0.758 mg/ml ; 0.00591 mol/l
Class : Soluble
Log S (Ali) : -2.33
Solubility : 0.6 mg/ml ; 0.00468 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.46
Solubility : 0.449 mg/ml ; 0.0035 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.28

Safety of [ 63012-97-5 ]

Signal Word:Danger Class:3
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P303+P361+P353-P403+P235 UN#:1993
Hazard Statements:H225 Packing Group:
GHS Pictogram:
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