Name: Name:2-(benzylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid
Brand: Angene
SKU: AG01BUXF
Rating: 90 (10 reviews)

2-(benzylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid

CAS No.:

541542-47-6

Catalog Number:

AG01BUXF

Molecular Formula:

C12H11NO2S2

Molecular Weight:

265.3512

Catalog Number:

AG01BUXF

Chemical Name:

2-(benzylsulfanyl)-4-methyl-1,3-thiazole-5-carboxylic acid

CAS Number:

541542-47-6

Molecular Formula:

C12H11NO2S2

Molecular Weight:

265.3512

MDL Number:

MFCD20157174

IUPAC Name:

2-benzylsulfanyl-4-methyl-1,3-thiazole-5-carboxylic acid

InChI:

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

InChI Key:

YWZJTXVYSLYDLF-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc(nc1C)SCc1ccccc1

Complexity:

269

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:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6