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Home > Nitro Compounds > 88317-72-0
88317-72-0 | Pyrimidine, 4,6-bis(methylthio)-5-nitro-
CAS No: 88317-72-0 Catalog No: AG0047RJ MDL No:
Product Description
Catalog Number:
AG0047RJ
Chemical Name:
Pyrimidine, 4,6-bis(methylthio)-5-nitro-
CAS Number:
88317-72-0
Molecular Formula:
C6H7N3O2S2
Molecular Weight:
217.2687
IUPAC Name:
4,6-bis(methylsulfanyl)-5-nitropyrimidine
InChI:
InChI=1S/C6H7N3O2S2/c1-12-5-4(9(10)11)6(13-2)8-3-7-5/h3H,1-2H3
InChI Key:
IEKCANITVZHIEX-UHFFFAOYSA-N
SMILES:
CSc1ncnc(c1[N+](=O)[O-])SC
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.998g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.261g/mol
Monoisotopic Mass:
216.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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