AG003RIT

17277-58-6 | Methyl (phenylthio)acetate

AG003RIT

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CAS Number	17277-58-6
Catalog Number	AG003RIT(AGN-PC-0JLOEK)
Chemical Name	Methyl (phenylthio)acetate
IUPAC Name	methyl 2-phenylsulfanylacetate
InChI	InChI=1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key	MUNSXQQODXYRKI-UHFFFAOYSA-N
MDL Number	MFCD00039805
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
NSC Number	620044
SMILES	O=C(OC)CSC1=CC=CC=C1
Synonyms	Methyl (phenylthio)acetate, 17277-58-6, methyl 2-(phenylthio)acetate, Methyl(phenylthio)acetate, methyl (phenylsulfanyl)acetate, (Phenylthio)acetic Acid Methyl Ester, Acetic acid, (phenylthio)-, methyl ester, methyl 2-(phenylsulfanyl)acetate, MUNSXQQODXYRKI-UHFFFAOYSA-N, MFCD00039805, methyl 2-phenylthioacetate, methyl(phenylsulfanyl)acetate, PubChem10851, methyl thiophenoxyacetate, ACMC-1BOYF, AI3-26887, Methyl phenylsulfenylacetate, AC1L3WG3, methyl 2-phenylsulfanylacetate, Methyl (phenylmercapto)acetate, (Phenylthio)acetic acid methyl, methyl 2-phenylsulfanylethanoate, SCHEMBL6764561, CHEMBL1967312, CTK3J0121, DTXSID70169395, ZINC153310, AC1Q6034, KS-000012PR, ANW-22598, NSC620044, SBB089934, STL291088, AKOS005203276, 2-(phenylthio)acetic acid methyl ester, MCULE-9129768885, NSC-620044, RP24343, TRA0029172, VZ32478, AC-16474, I510, NCI60_005922, ZB005397, RT-004607, FT-0628347, P1334, ST50406810, A811445, AT-419/41782453, I09-1415, J-521714, F0465-0057, InChI=1/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H, C9H10O2S, C9-H10-O2-S, AR-1J6517, CID123375, 17635-26-6,

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	0
Isotope Atom Count	0
Molecular Weight	182.237g/mol
Monoisotopic Mass	182.04g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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