Name: Name:3-{[(4-hydroxypyrimidin-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
Brand: Angene
SKU: AG019Y3U
Rating: 90 (10 reviews)

3-{[(4-hydroxypyrimidin-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

CAS No.:

1039922-41-2

Catalog Number:

AG019Y3U

Molecular Formula:

C14H10N2O4S

Molecular Weight:

302.3052

Catalog Number:

AG019Y3U

Chemical Name:

3-{[(4-hydroxypyrimidin-2-yl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

CAS Number:

1039922-41-2

Molecular Formula:

C14H10N2O4S

Molecular Weight:

302.3052

MDL Number:

MFCD13383585

IUPAC Name:

3-[(6-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid

InChI:

InChI=1S/C14H10N2O4S/c17-11-5-6-15-14(16-11)21-7-9-8-3-1-2-4-10(8)20-12(9)13(18)19/h1-6H,7H2,(H,18,19)(H,15,16,17)

InChI Key:

SITGGWISEFDAKJ-UHFFFAOYSA-N

SMILES:

Oc1ccnc(n1)SCc1c(oc2c1cccc2)C(=O)O

Complexity:

505

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.036g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.304g/mol

Monoisotopic Mass:

302.036g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: