AG003RTY

3795-79-7 | methyl 4-methylsulfanylbenzoate

AG003RTY

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CAS Number	3795-79-7
Catalog Number	AG003RTY(AGN-PC-0JLOB3)
Chemical Name	methyl 4-methylsulfanylbenzoate
IUPAC Name	methyl 4-methylsulfanylbenzoate
InChI	InChI=1S/C9H10O2S/c1-11-9(10)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3
InChI Key	UQGNSVPCBCFZCE-UHFFFAOYSA-N
MDL Number	MFCD01313010
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
SMILES	C(=O)(OC)c1ccc(cc1)SC
Synonyms	4-MMTB, methyl 4-(methylthio)benzoate, Methyl 4-(methylthio)benzoate, 3795-79-7, methyl 4-methylsulfanylbenzoate, UQGNSVPCBCFZCE-UHFFFAOYSA-N, 4-methylsulfanylbenzoic acid methyl ester, 4-Mmtb, AC1L3W2U, SCHEMBL749776, 4-CH3S-C6H4-COOCH3, CTK4H9068, DTXSID60191387, methyl 4-(methylsulfanyl)benzoate, ZINC163472, 4870AB, MFCD01313010, AKOS016010513, CM-1542, TRA0075751, AJ-16036, SC-53657, Methyl 4-(methylthio)benzoate, AldrichCPR, Benzoic acid,4-(methylthio)-, methyl ester, FT-0671972, Benzoic acid, 4-(methylthio)-, methyl ester, 4-Mercaptobenzoic acid, S-methyl-, methyl ester, Methyl4-(methylthio)benzoate, methyl4-methylsulfanylbenzoate, C9H10O2S, C9-H10-O2-S, CID123201,

Complexity	151
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	3
Topological Polar Surface Area	51.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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