Home Nitros Pyrimidine,2-(methylthio)-5-nitro-

Pyrimidine,2-(methylthio)-5-nitro-

CAS No.:
14001-70-8
Catalog Number:
AG006W3O
Molecular Formula:
C5H5N3O2S
Molecular Weight:
171.1771
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Product Description
Catalog Number:
AG006W3O
Chemical Name:
Pyrimidine,2-(methylthio)-5-nitro-
CAS Number:
14001-70-8
Molecular Formula:
C5H5N3O2S
Molecular Weight:
171.1771
MDL Number:
MFCD00127924
IUPAC Name:
2-methylsulfanyl-5-nitropyrimidine
InChI:
InChI=1S/C5H5N3O2S/c1-11-5-6-2-4(3-7-5)8(9)10/h2-3H,1H3
InChI Key:
APNBIRVIHOWZRZ-UHFFFAOYSA-N
SMILES:
CSc1ncc(cn1)[N+](=O)[O-]
NSC Number:
87659
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.01g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.174g/mol
Monoisotopic Mass:
171.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties