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Home > Nitro Compounds > 88096-62-2
88096-62-2 | Methane, (methylthio)nitro-
CAS No: 88096-62-2 Catalog No: AG004G8P MDL No:
Product Description
Catalog Number:
AG004G8P
Chemical Name:
Methane, (methylthio)nitro-
CAS Number:
88096-62-2
Molecular Formula:
C2H5NO2S
Molecular Weight:
107.1316
IUPAC Name:
methylsulfanyl(nitro)methane
InChI:
InChI=1S/C2H5NO2S/c1-6-2-3(4)5/h2H2,1H3
InChI Key:
OQGQGHLUWZBICX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CSC
Properties
Complexity:
50
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.004g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.127g/mol
Monoisotopic Mass:
107.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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