Name: Name:5-FORMYL-2-(METHYLSULFANYL)PYRIMIDINE-4-CARBOXYLIC ACID
Brand: Angene
SKU: AG01DSSI
Rating: 90 (10 reviews)

5-FORMYL-2-(METHYLSULFANYL)PYRIMIDINE-4-CARBOXYLIC ACID

CAS No.:

111253-04-4

Catalog Number:

AG01DSSI

Molecular Formula:

C7H6N2O3S

Molecular Weight:

198.1991

Catalog Number:

AG01DSSI

Chemical Name:

5-FORMYL-2-(METHYLSULFANYL)PYRIMIDINE-4-CARBOXYLIC ACID

CAS Number:

111253-04-4

Molecular Formula:

C7H6N2O3S

Molecular Weight:

198.1991

MDL Number:

MFCD20654534

IUPAC Name:

5-formyl-2-methylsulfanylpyrimidine-4-carboxylic acid

InChI:

InChI=1S/C7H6N2O3S/c1-13-7-8-2-4(3-10)5(9-7)6(11)12/h2-3H,1H3,(H,11,12)

InChI Key:

FKKQUMQCWLVMGS-UHFFFAOYSA-N

SMILES:

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

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.196g/mol

Monoisotopic Mass:

198.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4