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Home > Nitro Compounds > 138972-74-4
138972-74-4 | Acetonitrile, 2-[4-methyl-6-(methylthio)-1,3,5-triazin-2(1H)-ylidene]-2-nitro-
CAS No: 138972-74-4 Catalog No: AG0019Z2 MDL No:
Product Description
Catalog Number:
AG0019Z2
Chemical Name:
Acetonitrile, 2-[4-methyl-6-(methylthio)-1,3,5-triazin-2(1H)-ylidene]-2-nitro-
CAS Number:
138972-74-4
Molecular Formula:
C7H7N5O2S
Molecular Weight:
225.2278
IUPAC Name:
2-(6-methyl-4-methylsulfanyl-1H-1,3,5-triazin-2-ylidene)-2-nitroacetonitrile
InChI:
InChI=1S/C7H7N5O2S/c1-4-9-6(5(3-8)12(13)14)11-7(10-4)15-2/h1-2H3,(H,9,10,11)
InChI Key:
OIHRRVGUFAMZEL-UHFFFAOYSA-N
SMILES:
N#CC(=c1nc(C)nc([nH]1)SC)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.226g/mol
Monoisotopic Mass:
225.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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