Thiopivalic Acid - CAS 55561-02-9

Catalog:	BB029088
Product Name:	Thiopivalic Acid
CAS:	55561-02-9
Synonyms:	2,2-dimethylpropanethioic S-acid; 2,2-dimethylpropanethioic S-acid

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethylpropanethioic S-acid
Description:	Thiopivalic Acid (CAS# 55561-02-9) is a useful research chemical.
Molecular Weight:	118.20
Molecular Formula:	C5H10OS
Canonical SMILES:	CC(C)(C)C(=O)S
InChI:	InChI=1S/C5H10OS/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChI Key:	JHSXHKMJBWOMRU-UHFFFAOYSA-N
Boiling Point:	126 °C at 760 mmHg
Density:	0.966 g/cm³
LogP:	1.48890

Publication Number	Title	Priority Date
US-2013253051-A1	Controlled chemical release of hydrogen sulfide	20101201
US-9096504-B2	Controlled chemical release of hydrogen sulfide	20101201
WO-2012075242-A2	Controlled chemical release of hydrogen sulfide	20101201
US-2012171613-A1	Upper layer film-forming composition and method of forming photoresist pattern	20090915
US-2014147794-A1	Method of forming photoresist pattern	20090915

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GHS Hazard Statement:	H226 (95.45%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	80.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	118.04523611
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	118.04523611
Rotatable Bond Count:	1
Topological Polar Surface Area:	18.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7