CAS 10047-28-6 | Acetic acid, 2-mercapto-, butyl ester | CAS Number 10047-28-6

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10047-28-6 | Acetic acid, 2-mercapto-, butyl ester

CAS No: 10047-28-6 Catalog No: AG00022J MDL No:MFCD00022087

Product Description

Catalog Number:

AG00022J

Chemical Name:

Acetic acid, 2-mercapto-, butyl ester

CAS Number:

10047-28-6

Molecular Formula:

C6H12O2S

Molecular Weight:

148.2233

MDL Number:

MFCD00022087

IUPAC Name:

butyl 2-sulfanylacetate

InChI:

InChI=1S/C6H12O2S/c1-2-3-4-8-6(7)5-9/h9H,2-5H2,1H3

InChI Key:

SKGVGRLWZVRZDC-UHFFFAOYSA-N

SMILES:

CCCCOC(=O)CS

EC Number:

233-156-5

UNII:

96L21ZJ8JC

NSC Number:

65453

Properties

Complexity:

83.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

148.056g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

148.22g/mol

Monoisotopic Mass:

148.056g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

27.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7

Literature

Title	Journal
Final amended report on the safety assessment of Ammonium Thioglycolate, Butyl Thioglycolate, Calcium Thioglycolate, Ethanolamine Thioglycolate, Ethyl Thioglycolate, Glyceryl Thioglycolate, Isooctyl Thioglycolate, Isopropyl Thioglycolate, Magnesium Thioglycolate, Methyl Thioglycolate, Potassium Thioglycolate, Sodium Thioglycolate, and Thioglycolic Acid.	International journal of toxicology 20090101