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Home > Nitro Compounds > 66665-86-9
66665-86-9 | Pyridine, 4-methyl-2-(methylthio)-5-nitro-
CAS No: 66665-86-9 Catalog No: AG00H7MX MDL No:
Product Description
Catalog Number:
AG00H7MX
Chemical Name:
Pyridine, 4-methyl-2-(methylthio)-5-nitro-
CAS Number:
66665-86-9
Molecular Formula:
C7H8N2O2S
Molecular Weight:
184.2156
IUPAC Name:
4-methyl-2-methylsulfanyl-5-nitropyridine
InChI:
InChI=1S/C7H8N2O2S/c1-5-3-7(12-2)8-4-6(5)9(10)11/h3-4H,1-2H3
InChI Key:
MBBGZQWMPOXQMR-UHFFFAOYSA-N
SMILES:
CSc1ncc(c(c1)C)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.213g/mol
Monoisotopic Mass:
184.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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