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115084-04-3 | Methane, isocyano(methylsulfonyl)-
CAS No: 115084-04-3 Catalog No: AG000FVP MDL No:
Product Description
Catalog Number:
AG000FVP
Chemical Name:
Methane, isocyano(methylsulfonyl)-
CAS Number:
115084-04-3
Molecular Formula:
C3H5NO2S
Molecular Weight:
119.1423
IUPAC Name:
isocyano(methylsulfonyl)methane
InChI:
InChI=1S/C3H5NO2S/c1-4-3-7(2,5)6/h3H2,2H3
InChI Key:
VYUZAWHIOAWCTR-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)C[N+]#[C-]
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.004g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.138g/mol
Monoisotopic Mass:
119.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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