AG007J8D

153121-88-1 | 2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester

AG007J8D

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CAS Number	153121-88-1
Catalog Number	AG007J8D(AGN-PC-0MWUUL)
Chemical Name	2,2-Dimethylpropanethioic acid s-(2-hydroxyethyl) ester
IUPAC Name	S-(2-hydroxyethyl) 2,2-dimethylpropanethioate
InChI	InChI=1S/C7H14O2S/c1-7(2,3)6(9)10-5-4-8/h8H,4-5H2,1-3H3
InChI Key	LIFQCFNVZCHRCI-UHFFFAOYSA-N
MDL Number	MFCD18907033
Molecular Formula	C7H14O2S
Molecular Weight	162.2499
SMILES	OCCSC(=O)C(C)(C)C
Synonyms	s-2-hydroxyethyl 2,2-dimethylpropanethioate, 153121-88-1, Propanethioic acid, 2,2-dimethyl-, S-(2-hydroxyethyl) ester, S-(2-Hydroxyethyl) 2,2-dimethylpropanethioate, ACMC-20n6ly, 2-(Pivaloylthio)ethanol, SCHEMBL3072338, CTK0E8078, DTXSID60433698, LIFQCFNVZCHRCI-UHFFFAOYSA-N, CID9989559, 1-(2-hydroxyethylsulfanyl)-2,2-dimethyl-propan-1-one,

Complexity	115
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.071g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.247g/mol
Monoisotopic Mass	162.071g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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