Name: Name:4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-nitro-
Brand: Angene
SKU: AG002B5L
Rating: 90 (10 reviews)

4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-nitro-

CAS No.:

1979-97-1

Catalog Number:

AG002B5L

Molecular Formula:

C5H5N3O4S

Molecular Weight:

203.1759

Catalog Number:

AG002B5L

Chemical Name:

4(3H)-Pyrimidinone, 6-hydroxy-2-(methylthio)-5-nitro-

CAS Number:

1979-97-1

Molecular Formula:

C5H5N3O4S

Molecular Weight:

203.1759

MDL Number:

MFCD02323207

IUPAC Name:

4-hydroxy-2-methylsulfanyl-5-nitro-1H-pyrimidin-6-one

InChI:

InChI=1S/C5H5N3O4S/c1-13-5-6-3(9)2(8(11)12)4(10)7-5/h1H3,(H2,6,7,9,10)

InChI Key:

LMCNSMCHUYZUFF-UHFFFAOYSA-N

SMILES:

CSc1nc(O)c(c(=O)[nH]1)[N+](=O)[O-]

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.172g/mol

Monoisotopic Mass:

203g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7