Name: Name:4(3H)-Pyrimidinone, 6-hydroxy-5-nitro-2-(propylthio)-
Brand: Angene
SKU: AG001DEF
Rating: 90 (10 reviews)

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

CAS No.:

145783-13-7

Catalog Number:

AG001DEF

Molecular Formula:

C7H9N3O4S

Molecular Weight:

231.2291

Catalog Number:

AG001DEF

Chemical Name:

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

CAS Number:

145783-13-7

Molecular Formula:

C7H9N3O4S

Molecular Weight:

231.2291

MDL Number:

MFCD26385870

IUPAC Name:

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

InChI:

InChI=1S/C7H9N3O4S/c1-2-3-15-7-8-5(11)4(10(13)14)6(12)9-7/h2-3H2,1H3,(H2,8,9,11,12)

InChI Key:

PHMVMACIFWKESN-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c(O)nc([nH]c1=O)SCCC

Complexity:

358

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.031g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.226g/mol

Monoisotopic Mass:

231.031g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6