Sodium 2-propanethiolate - CAS 20607-43-6

Catalog:	BB016100
Product Name:	Sodium 2-propanethiolate
CAS:	20607-43-6
Synonyms:	sodium;propane-2-thiolate

Technical Data

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Computed Properties

IUPAC Name:	sodium;propane-2-thiolate
Description:	Sodium 2-propanethiolate (CAS# 20607-43-6 ) is a useful research chemical.
Molecular Weight:	98.14
Molecular Formula:	C3H7NaS
Canonical SMILES:	CC(C)[S-].[Na+]
InChI:	InChI=1S/C3H8S.Na/c1-3(2)4;/h3-4H,1-2H3;/q;+1/p-1
InChI Key:	NQHKCHWQDDWQJR-UHFFFAOYSA-M
Purity:	≥ 90 %
Appearance:	White crystalline powder
LogP:	1.59230

Publication Number	Title	Priority Date
US-2015344437-A1	Pyrazolone derivatives as nitroxyl donors	20140527
US-2015119385-A1	Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors	20131025
US-2016102092-A1	Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors	20131025
US-9266883-B2	Ring-fused bicyclic pyridyl derivatives as FGFR4 inhibitors	20131025
US-2015368228-A1	Antiviral compounds	20130305

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	14.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	98.01661568
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	98.01661568
Rotatable Bond Count:	0
Topological Polar Surface Area:	1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0