AG00EF9C

6302-65-4 | Methyl 4-sulfanylbenzoate

AG00EF9C

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CAS Number	6302-65-4
Catalog Number	AG00EF9C(AGN-PC-0JODIX)
Chemical Name	Methyl 4-sulfanylbenzoate
IUPAC Name	methyl 4-sulfanylbenzoate
InChI	InChI=1S/C8H8O2S/c1-10-8(9)6-2-4-7(11)5-3-6/h2-5,11H,1H3
InChI Key	BTZOMWXSWVOOHG-UHFFFAOYSA-N
MDL Number	MFCD01863423
Molecular Formula	C8H8O2S
Molecular Weight	168.2129
NSC Number	41242
SMILES	COC(=O)c1ccc(cc1)S
Synonyms	methyl 4-sulfanylbenzoate, 6302-65-4, METHYL 4-MERCAPTOBENZOATE, 4-mercapto-benzoic acid methyl ester, 4-Mercaptobenzoic acid methyl ester, Benzoic acid, 4-mercapto-, methyl ester, Methyl4-mercaptobenzoate, NSC41242, 4-Mercaptomethylbenzoate, methyl-4-mercaptobenzoate, 4-(Carbomethoxy)thiophenol, AC1Q43HY, AC1Q5Z9K, p-(Carbomethoxy)benzenethiol, SCHEMBL197525, AC1L5Z38, CTK5B7157, KS-00001BOH, DTXSID80285272, BTZOMWXSWVOOHG-UHFFFAOYSA-N, p-Mercaptobenzoic acid methyl ester, ZINC1672536, MFCD01863423, NSC 41242, NSC-41242, STL220073, AKOS015995176, CL-0794, MCULE-1032954907, NE47036, RP23099, SC-68059, CS-0037057, FT-0647873, ST45243845, EN300-28641, J-515612, AR-1J5487, CID237573, 696-44-6,

Complexity	139
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.025g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.21g/mol
Monoisotopic Mass	168.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	27.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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