Name: Name:4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-
Brand: Angene
SKU: AG001M0M
Rating: 90 (10 reviews)

4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-

CAS No.:

149771-16-4

Catalog Number:

AG001M0M

Molecular Formula:

C7H6N2O4S

Molecular Weight:

214.1985

Catalog Number:

AG001M0M

Chemical Name:

4,5-Pyrimidinedicarboxylic acid, 2-(methylthio)-

CAS Number:

149771-16-4

Molecular Formula:

C7H6N2O4S

Molecular Weight:

214.1985

MDL Number:

MFCD13195439

IUPAC Name:

2-methylsulfanylpyrimidine-4,5-dicarboxylic acid

InChI:

InChI=1S/C7H6N2O4S/c1-14-7-8-2-3(5(10)11)4(9-7)6(12)13/h2H,1H3,(H,10,11)(H,12,13)

InChI Key:

MGRTXKQPRHOSTJ-UHFFFAOYSA-N

SMILES:

CSc1ncc(c(n1)C(=O)O)C(=O)O

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.005g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.195g/mol

Monoisotopic Mass:

214.005g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4