Name: Name:4-(4-methoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile
Brand: Angene
SKU: AG019P0M
Rating: 90 (10 reviews)

4-(4-methoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile

CAS No.:

70638-54-9

Catalog Number:

AG019P0M

Molecular Formula:

C12H9N3O2S

Molecular Weight:

259.2838

Catalog Number:

AG019P0M

Chemical Name:

4-(4-methoxyphenyl)-6-oxo-2-sulfanyl-1,6-dihydropyrimidine-5-carbonitrile

CAS Number:

70638-54-9

Molecular Formula:

C12H9N3O2S

Molecular Weight:

259.2838

MDL Number:

MFCD00442728

IUPAC Name:

6-(4-methoxyphenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile

InChI:

InChI=1S/C12H9N3O2S/c1-17-8-4-2-7(3-5-8)10-9(6-13)11(16)15-12(18)14-10/h2-5H,1H3,(H2,14,15,16,18)

InChI Key:

PXEWDUZAXRERFW-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)c1nc(S)[nH]c(=O)c1C#N

Complexity:

455

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

259.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.283g/mol

Monoisotopic Mass:

259.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2