Name: Name:3-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}benzoic acid
Brand: Angene
SKU: AG01A8HJ
Rating: 90 (10 reviews)

3-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}benzoic acid

CAS No.:

1017046-67-1

Catalog Number:

AG01A8HJ

Molecular Formula:

C12H12N2O2S

Molecular Weight:

248.3009

Catalog Number:

AG01A8HJ

Chemical Name:

3-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}benzoic acid

CAS Number:

1017046-67-1

Molecular Formula:

C12H12N2O2S

Molecular Weight:

248.3009

MDL Number:

MFCD09941376

IUPAC Name:

3-[(1-methylimidazol-2-yl)sulfanylmethyl]benzoic acid

InChI:

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

InChI Key:

VHYNJMKIKLDOAF-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)CSc1nccn1C

Complexity:

275

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:

1.9