AG0032FP

76497-39-7 | (2S)-3-Acetylthio-2-methylpropionic acid

AG0032FP

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CAS Number	76497-39-7
Catalog Number	AG0032FP(AGN-PC-0OHTWH)
Chemical Name	(2S)-3-Acetylthio-2-methylpropionic acid
IUPAC Name	(2S)-3-acetylsulfanyl-2-methylpropanoic acid
InChI	InChI=1S/C6H10O3S/c1-4(6(8)9)3-10-5(2)7/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChI Key	VFVHNRJEYQGRGE-SCSAIBSYSA-N
MDL Number	MFCD00038563
Molecular Formula	C6H10O3S
Molecular Weight	162.2068
SMILES	C(C)(=O)SC[C@H](C(=O)O)C
Synonyms	76497-39-7, (S)-(-)-3-(Acetylthio)-2-methylpropionic Acid, (2S)-3-acetylsulfanyl-2-methylpropanoic acid, Propanoic acid, 3-(acetylthio)-2-methyl-, (2S)-, D-3-Acetylsulfanyl-2-methyl-propionic acid, (2S)-3-(Acetylthio)-2-methylpropanoic Acid, (2S)-3-(acetylsulfanyl)-2-methylpropanoic acid, W-111519, (S)-3-(Acetylthio)-2-methylpropionic acid, 74431-52-0, D-(-)-S-Acetyl-beta-mercaptoisobutyric acid, PubChem14067, D-(-)-3-Acetylthio-2-methylpropanoic acid, AC1MC52E, C6H10O3S, SCHEMBL2314507, CTK8B2298, VFVHNRJEYQGRGE-SCSAIBSYSA-N, ZINC135387, (S)-3-(Acetylthio)isobutyric acid, ZX-AT004771, ANW-36813, BBL103168, CA-467, KM1771, MFCD00038563, STL556978, AKOS015837811, FCH3637355, LS30262, OR61506, (S)-(-)-3-(Acetylthio)isobutyric Acid, K790, (2S)-3-acetylthio-2-methylpropionic acid, (S)-3-(Acetylthio)-2-methylpropanoic acid, TR-024495, (-)-3-(Acetylthio)-2-methylpropanoic acid, FT-0641595, (S)-3-Acetylsulfanyl-2-methyl-propionic acid, KS-00001494, (2S)-3-Acetylsulfanyl-2-methyl-propanoic acid, (S)-(-)-3-(Acetylthio)-2-methylpropionicAcid, (S)-(-)-3-(Acetylthio)-2-methylpropionic acid, 97%, UNII-R696CMV409 component VFVHNRJEYQGRGE-SCSAIBSYSA-N, 3-Acetylthioisobutyric acid, C6-H10-O3-S, EINECS 277-868-4, EINECS 278-480-8, CB11703, CID2724506, D-(-)-3-Acetylthio-2-methylpropionic acid, (s)-3-acetylthio-2-methylpropionic acid, (R)-3-(Acetylthio)-2-methylpropionic acid, A1334, D-(-)-3-Acetylsulfanyl-2-methylpropionic acid, D- -S-ACETYL-BETA-MERCAPTO-ISOBUTYRICACID,

Complexity	144
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	162.035g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	162.203g/mol
Monoisotopic Mass	162.035g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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