Name: Name:5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-thioxo-, ethyl ester
Brand: Angene
SKU: AG001BVS
Rating: 90 (10 reviews)

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-thioxo-, ethyl ester

CAS No.:

13996-05-9

Catalog Number:

AG001BVS

Molecular Formula:

C8H10N2O3S

Molecular Weight:

214.2416

Catalog Number:

AG001BVS

Chemical Name:

5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-4-thioxo-, ethyl ester

CAS Number:

13996-05-9

Molecular Formula:

C8H10N2O3S

Molecular Weight:

214.2416

MDL Number:

MFCD06411556

IUPAC Name:

ethyl 6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate

InChI:

InChI=1S/C8H10N2O3S/c1-3-13-7(11)5-4(2)9-8(12)10-6(5)14/h3H2,1-2H3,(H2,9,10,12,14)

InChI Key:

FKWPOCBDNMHKCV-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(C)[nH]c(=O)[nH]c1=S

Complexity:

336

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.239g/mol

Monoisotopic Mass:

214.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

99.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4