AG003PZJ

7605-25-6 | ethyl 2-(phenylsulfanyl)acetate

AG003PZJ

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CAS Number	7605-25-6
Catalog Number	AG003PZJ(AGN-PC-0JM2FD)
Chemical Name	ethyl 2-(phenylsulfanyl)acetate
IUPAC Name	ethyl 2-phenylsulfanylacetate
InChI	InChI=1S/C10H12O2S/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	SEDRTXNDGKRHBL-UHFFFAOYSA-N
MDL Number	MFCD00145107
Molecular Formula	C10H12O2S
Molecular Weight	196.2661
SMILES	O=C(OCC)CSC1=CC=CC=C1
Synonyms	7605-25-6, Ethyl (phenylthio)acetate, Ethyl 2-(phenylthio)acetate, Ethyl(phenylthio)acetate, (Phenylthio)acetic Acid Ethyl Ester, Acetic acid, (phenylthio)-, ethyl ester, ethyl 2-phenylthioacetate, (Phenylthio)acetic acid, ethyl ester, Ethyl (phenylsulfanyl)acetate, ethyl 2-phenylsulfanylacetate, ethyl 2-(phenylsulfanyl)acetate, C10H12O2S, SEDRTXNDGKRHBL-UHFFFAOYSA-N, MFCD00145107, PubChem10853, AI3-26888, ethyl phenylsulfenylacetate, ACMC-1BB9A, ethyl ((phenylthio)acetate, AC1Q65CX, 2-phenylsulfanylbutanoic Acid, AC1L3Y96, AC1Q353R, SCHEMBL2027600, CTK3J0122, SEDRTXNDGKRHBL-UHFFFAOYSA-, DTXSID80226948, ZINC161511, ANW-36730, NSC115089, NSC240014, SBB053696, phenylsulfanyl-acetic acid ethyl ester, AKOS005076796, AM87179, MCULE-2587463573, NSC-115089, NSC-240014, RP04049, RTR-024402, TRA0081606, VZ36089, KS-0000124G, AC-16480, CS-10170, I466, SC-44787, ZB007605, TR-024402, A9651, FT-0625878, P1085, ST50407043, 10X-0932, I09-1500, J-520652, InChI=1/C10H12O2S/c1-2-12-10(11)8-13-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3, 2-(phenylthio)butanoic acid, CID97312, AR-1J0396, C10-H12-O2-S, 8012-19-9,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.056g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.264g/mol
Monoisotopic Mass	196.056g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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