Name: Name:2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid
Brand: Angene
SKU: AG01A3YS
Rating: 90 (10 reviews)

2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid

CAS No.:

1216181-04-2

Catalog Number:

AG01A3YS

Molecular Formula:

C12H11NO2S

Molecular Weight:

233.2862

Catalog Number:

AG01A3YS

Chemical Name:

2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid

CAS Number:

1216181-04-2

Molecular Formula:

C12H11NO2S

Molecular Weight:

233.2862

MDL Number:

MFCD14539664

IUPAC Name:

2-[(4-methylphenyl)methyl]-1,3-thiazole-4-carboxylic acid

InChI:

InChI=1S/C12H11NO2S/c1-8-2-4-9(5-3-8)6-11-13-10(7-16-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)

InChI Key:

MNBRGXGIHYPDDI-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)Cc1scc(n1)C(=O)O

Complexity:

251

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

233.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

233.285g/mol

Monoisotopic Mass:

233.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1