Name: Name:1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-phenyl-2-thioxo-
Brand: Angene
SKU: AG005SDQ
Rating: 90 (10 reviews)

1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-phenyl-2-thioxo-

CAS No.:

99361-29-2

Catalog Number:

AG005SDQ

Molecular Formula:

C10H8N2O2S

Molecular Weight:

220.2477

Catalog Number:

AG005SDQ

Chemical Name:

1H-Imidazole-4-carboxylicacid, 2,3-dihydro-3-phenyl-2-thioxo-

CAS Number:

99361-29-2

Molecular Formula:

C10H8N2O2S

Molecular Weight:

220.2477

MDL Number:

MFCD24038741

IUPAC Name:

3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxylic acid

InChI:

InChI=1S/C10H8N2O2S/c13-9(14)8-6-11-10(15)12(8)7-4-2-1-3-5-7/h1-6H,(H,11,15)(H,13,14)

InChI Key:

YXIZTCTXXDBABW-UHFFFAOYSA-N

SMILES:

OC(=O)c1c[nH]c(=S)n1c1ccccc1

Complexity:

321

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.246g/mol

Monoisotopic Mass:

220.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2