AG007CC9

3704-28-7 | Benzoic acid,2-(methylthio)-, methyl ester

AG007CC9

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	3704-28-7
Catalog Number	AG007CC9(AGN-PC-0JP4FC)
Chemical Name	Benzoic acid,2-(methylthio)-, methyl ester
IUPAC Name	methyl 2-methylsulfanylbenzoate
InChI	InChI=1S/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H3
InChI Key	CPQDZXPLQXZJGF-UHFFFAOYSA-N
MDL Number	MFCD00068039
Molecular Formula	C9H10O2S
Molecular Weight	182.2395
NSC Number	130740
SMILES	C(=O)(OC)c1c(SC)cccc1
Synonyms	methyl 2-(methylthio)benzoate, methyl 2-(methylthio)benzoate, 3704-28-7, Methyl 2-(methylsulfanyl)benzoate, Benzoic acid, 2-(methylthio)-, methyl ester, methyl 2-methylsulfanylbenzoate, Benzoic acid,2-(methylthio)-, methyl ester, CPQDZXPLQXZJGF-UHFFFAOYSA-N, MFCD00068039, 2-(Methylthio)benzoic acid methyl ester, C9H10O2S, F3308-2820, 2-Methylthiobenzoic acid, methyl ester, ACMC-1CNEC, AC1Q5ZBW, AC1L5QK8, AC1Q42TV, Methyl O-methylthiosalicylate, methyl-2-(methylthio)benzoate, SCHEMBL647041, CTK4H7599, KS-00001YGX, DTXSID10299443, ALBB-024142, STR03200, ZINC4262539, ANW-28543, Methyl 2-(methylsulfanyl)benzoate #, NSC130740, AKOS002367292, 6K-630S, MCULE-2910383289, NSC-130740, 2-methylsulfanylbenzoic acid methyl ester, CJ-11752, ST019868, AB0058667, DB-069480, TR-015086, 2-METHYLTHIOBENZOIC ACID METHYL ESTER, FT-0628392, BENZOIC ACID,2-METHYLTHIO,METHYL ESTER, EN300-54897, K-8215, AE-848/01235034, I14-102532, InChI=1/C9H10O2S/c1-11-9(10)7-5-3-4-6-8(7)12-2/h3-6H,1-2H, METHYL2- BENZOATE, Benzoic acid, methyl ester, methyl 2-methylthiobenzoate, AR-1J4442, CID279586, 37305-89-8,

Complexity	159
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	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number