AG003BZL

103-46-8 | 2-(Benzylthio)acetic acid

AG003BZL

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CAS Number	103-46-8
Catalog Number	AG003BZL(AGN-PC-0JL7GW)
Chemical Name	2-(Benzylthio)acetic acid
EC Number	203-114-0
IUPAC Name	2-benzylsulfanylacetic acid
InChI	InChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChI Key	AWLVTQRRKPBQEQ-UHFFFAOYSA-N
MDL Number	MFCD00004358
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
NSC Number	26553
SMILES	O=C(O)CSCC1=CC=CC=C1
Synonyms	(benzylthio)acetic acid, benzylmercaptoacetic acid, (Benzylthio)acetic acid, 103-46-8, 2-(Benzylthio)acetic acid, S-Benzylthioglycolic acid, 2-(benzylsulfanyl)acetic acid, Acetic acid, [(phenylmethyl)thio]-, Benzylmercaptoacetic acid, (Benzylthio)aceticacid, Acetic acid, (benzylthio)-, AWLVTQRRKPBQEQ-UHFFFAOYSA-N, Acetic acid, ((phenylmethyl)thio)-, MFCD00004358, (Benzylsulfanyl)acetic acid, 2-(phenylmethylthio)acetic acid, Acetic acid, 2-((phenylmethyl)thio)-, Acetic acid, 2-[(phenylmethyl)thio]-, EINECS 203-114-0, NSC 26553, ACMC-20apm7, benzylsulfanylacetic acid, benzylsulfanyl-acetic acid, Maybridge1_002698, S-(Benzylthio)acetic acid, S-benzylmercaptoacetic acid, 2-benzylsulfanylacetic acid, AC1L26EN, AC1Q5WV6, (S-Benzyl)thioglycolic acid, (Benzylsulfanyl)acetic acid #, DivK1c_001450, SCHEMBL499117, AC1Q76G1, AC1Q76G2, DTXSID2059273, CTK4A2128, HMS549C14, S-Benzylthioglycolic acid, 97%, ZINC138404, ALBB-009416, NSC26553, Acetic acid, (benzylthio)- (8CI), 7782AC, BBL000319, NSC-26553, SBB042552, SP4198, STK288965, Acetic acid,2-[(phenylmethyl)thio]-, AKOS000264492, MCULE-4184308941, CDS1_000410, NCGC00334818-01, CD 04055, TR-033390, BB 0218438, FT-0679558, R1099, ST45028004, EN300-15485, 3P-067, AB00375896-03, I04-4188, J-000971, Z19691777, F2191-0044, (benzylthio)eddikesyre, C9H10O2S, C9-H10-O2-S, CID66897, AR-1C8585, 104030-11-7,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	182.04g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	182.237g/mol
Monoisotopic Mass	182.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	UN 3335

Certificate of Analysis

Lot Number