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Home > Nitro Compounds > 129950-36-3
129950-36-3 | Pyrimidine, 1,2,3,4-tetrahydro-1,3-dimethyl-6-(methylthio)-5-nitro-
CAS No: 129950-36-3 Catalog No: AG000TU8 MDL No:
Product Description
Catalog Number:
AG000TU8
Chemical Name:
Pyrimidine, 1,2,3,4-tetrahydro-1,3-dimethyl-6-(methylthio)-5-nitro-
CAS Number:
129950-36-3
Molecular Formula:
C7H13N3O2S
Molecular Weight:
203.2620
IUPAC Name:
1,3-dimethyl-6-methylsulfanyl-5-nitro-2,4-dihydropyrimidine
InChI:
InChI=1S/C7H13N3O2S/c1-8-4-6(10(11)12)7(13-3)9(2)5-8/h4-5H2,1-3H3
InChI Key:
MCMASWFPMOPXFQ-UHFFFAOYSA-N
SMILES:
CSC1=C(CN(CN1C)C)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.26g/mol
Monoisotopic Mass:
203.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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