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Home > Nitro Compounds > 7154-33-8
7154-33-8 | 6-methoxy-5-nitro-1H-pyrimidine-4-thione
CAS No: 7154-33-8 Catalog No: AG01B17V MDL No:MFCD09746185
Product Description
Catalog Number:
AG01B17V
Chemical Name:
6-methoxy-5-nitro-1H-pyrimidine-4-thione
CAS Number:
7154-33-8
Molecular Formula:
C5H5N3O3S
Molecular Weight:
187.1765
MDL Number:
MFCD09746185
IUPAC Name:
6-methoxy-5-nitro-1H-pyrimidine-4-thione
InChI:
InChI=1S/C5H5N3O3S/c1-11-4-3(8(9)10)5(12)7-2-6-4/h2H,1H3,(H,6,7,12)
InChI Key:
KKDYUVCRKRVRBM-UHFFFAOYSA-N
SMILES:
COc1ncnc(c1[N+](=O)[O-])S
NSC Number:
73512
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.005g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
187.173g/mol
Monoisotopic Mass:
187.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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