Name: Name:Benzoic acid, 5-amino-2-(methylthio)-, methyl ester (9CI)
Brand: Angene
SKU: AG00AV7O
Rating: 90 (10 reviews)

Benzoic acid, 5-amino-2-(methylthio)-, methyl ester (9CI)

CAS No.:

191604-71-4

Catalog Number:

AG00AV7O

Molecular Formula:

C9H11NO2S

Molecular Weight:

197.2541

Catalog Number:

AG00AV7O

Chemical Name:

Benzoic acid, 5-amino-2-(methylthio)-, methyl ester (9CI)

CAS Number:

191604-71-4

Molecular Formula:

C9H11NO2S

Molecular Weight:

197.2541

MDL Number:

MFCD14621942

IUPAC Name:

methyl 5-amino-2-methylsulfanylbenzoate

InChI:

InChI=1S/C9H11NO2S/c1-12-9(11)7-5-6(10)3-4-8(7)13-2/h3-5H,10H2,1-2H3

InChI Key:

DHHOOXLPZOZXKF-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(N)ccc1SC

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

197.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

197.252g/mol

Monoisotopic Mass:

197.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6