Name: Name:2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetic acid
Brand: Angene
SKU: AG01A9KL
Rating: 90 (10 reviews)

2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetic acid

CAS No.:

462067-14-7

Catalog Number:

AG01A9KL

Molecular Formula:

C12H12N2O2S

Molecular Weight:

248.3009

Catalog Number:

AG01A9KL

Chemical Name:

2-[(1-methyl-5-phenyl-1H-imidazol-2-yl)sulfanyl]acetic acid

CAS Number:

462067-14-7

Molecular Formula:

C12H12N2O2S

Molecular Weight:

248.3009

MDL Number:

MFCD02595041

IUPAC Name:

2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetic acid

InChI:

InChI=1S/C12H12N2O2S/c1-14-10(9-5-3-2-4-6-9)7-13-12(14)17-8-11(15)16/h2-7H,8H2,1H3,(H,15,16)

InChI Key:

DRJGSULCGDRPFL-UHFFFAOYSA-N

SMILES:

OC(=O)CSc1ncc(n1C)c1ccccc1

Complexity:

269

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

248.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

248.3g/mol

Monoisotopic Mass:

248.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1