Name: Name:4-Thiazolecarboxylic acid, 5-[(phenylmethyl)thio]-, methyl ester
Brand: Angene
SKU: AG0087NU
Rating: 90 (10 reviews)

4-Thiazolecarboxylic acid, 5-[(phenylmethyl)thio]-, methyl ester

CAS No.:

89502-06-7

Catalog Number:

AG0087NU

Molecular Formula:

C12H11NO2S2

Molecular Weight:

265.3512

Catalog Number:

AG0087NU

Chemical Name:

4-Thiazolecarboxylic acid, 5-[(phenylmethyl)thio]-, methyl ester

CAS Number:

89502-06-7

Molecular Formula:

C12H11NO2S2

Molecular Weight:

265.3512

MDL Number:

MFCD20133444

IUPAC Name:

methyl 5-benzylsulfanyl-1,3-thiazole-4-carboxylate

InChI:

InChI=1S/C12H11NO2S2/c1-15-11(14)10-12(17-8-13-10)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3

InChI Key:

GEQICVJLPWBEJG-UHFFFAOYSA-N

SMILES:

COC(=O)c1ncsc1SCc1ccccc1

Complexity:

257

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.345g/mol

Monoisotopic Mass:

265.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5