AG003EOG

3405-88-7 | 2-((4-Chlorophenyl)thio)acetic acid

AG003EOG

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CAS Number	3405-88-7
Catalog Number	AG003EOG(AGN-PC-0JL0ST)
Chemical Name	2-((4-Chlorophenyl)thio)acetic acid
IUPAC Name	2-(4-chlorophenyl)sulfanylacetic acid
InChI	InChI=1S/C8H7ClO2S/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key	YPKLXLYGMAWXDO-UHFFFAOYSA-N
MDL Number	MFCD00021762
Molecular Formula	C8H7ClO2S
Molecular Weight	202.6580
NSC Number	33051
SMILES	O=C(O)CSC1=CC=C(Cl)C=C1
Synonyms	3405-88-7, 2-((4-Chlorophenyl)thio)acetic acid, (4-Chlorophenylthio)acetic acid, [(4-chlorophenyl)thio]acetic acid, p-Chlorophenylmercaptoacetic acid, [(4-Chlorophenyl)sulfanyl]acetic acid, 2-[(4-chlorophenyl)sulfanyl]acetic acid, 2-(p-Chlorophenylthio)acetic acid, p-Chlorophenylthioacetic acid, NSC 33051, (4-Chloro-phenylsulfanyl)-acetic acid, Acetic acid, ((p-chlorophenyl)thio)-, Acetic acid, [(4-chlorophenyl)thio]-, SN 4095, WR 5994, ((p-Chlorophenyl)thio)acetic acid, 2-(4-Chlorophenylthio)acetic acid, W 2683, 2-[(4-chlorophenyl)thio]acetic acid, BRN 1871569, MFCD00021762, Acetic acid, ((4-chlorophenyl)thio)-, [(p-Chlorophenyl)thio]acetic acid, ACMC-20apnd, Maybridge1_005876, AC1L1J5G, AC1Q76AF, AC1Q76AG, CHEMBL369615, SCHEMBL1286277, 4-chlorophenylsulfanylacetic acid, CTK8C6331, HMS558D02, ZINC75397, DTXSID90187657, YPKLXLYGMAWXDO-UHFFFAOYSA-N, (4-chlorophenylsulfanyl)acetic acid, ALBB-009422, CCG-1607, KS-000019SS, NSC33051, 0885AE, BBL000180, NSC-33051, SBB003520, SP4194, STK288043, 2-(4-chlorophenyl)sulfanylacetic acid, AKOS000264443, FR-1029, MCULE-5442245504, .alpha.-(p-Chlorophenylthio)acetic acid, [(4-Chlorophenyl)sulfanyl]acetic acid #, NCGC00329324-01, AJ-10354, AM100681, LS-11434, .alpha.-(p-Chlorophenylmercapto)acetic acid, AB0218164, DB-068929, ST2403768, TR-014166, CS-0035436, FT-0675974, ST45028588, Acetic acid, ((4-chlorophenyl)thio)- (9CI), Y-9656, AB01322776-02, AA-516/30012060, I04-4866, Z55179956, JNG, aceticacid, C8H7ClO2S, C8-H7-Cl-O2-S, CID55471, 4-06-00-01601 (Beilstein Handbook Reference), C20200, W-2683,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.986g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.652g/mol
Monoisotopic Mass	201.986g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H335-H315-H319-H302
Packing Group
Precautionary statements	P261-P405-P305+P351+P338-P304+P340-P280
UN Code

Certificate of Analysis

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