| CAS Number | 14668-29-2 |
| Catalog Number | AG00AN5M(AGN-PC-0KNVAH) |
| Chemical Name | 2-Methanesulfonyl-2-Methylpropanenitrile |
| IUPAC Name | 2-methyl-2-methylsulfonylpropanenitrile |
| InChI | InChI=1S/C5H9NO2S/c1-5(2,4-6)9(3,7)8/h1-3H3 |
| InChI Key | MPXOEOMIERYCLI-UHFFFAOYSA-N |
| MDL Number | MFCD16766457 |
| Molecular Formula | C5H9NO2S |
| Molecular Weight | 147.1955 |
| SMILES | CC(S(C)(=O)=O)(C#N)C |
| Synonyms | 14668-29-2,
2-Methanesulfonyl-2-methylpropanenitrile,
2-Methyl-2-(methylsulfonyl)propanenitrile,
Propanenitrile, 2-methyl-2-(methylsulfonyl)-,
AC1MI08H,
SCHEMBL13278474,
DTXSID00163442,
MPXOEOMIERYCLI-UHFFFAOYSA-N,
MFCD16766457,
ZINC33505955,
AKOS011762722,
methyl-2-(methylsulfonyl)propionitrile,
2-methyl-2-methylsulfonylpropanenitrile,
AS-39714,
2-Methyl-2-(methylsulfonyl)propiononitrile,
CS-0046954,
C5-H9-N-O2-S,
CID3014848,
ACETONE, 4-PHENYL-3-THIOSEMICARBAZONE,
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| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 147.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.192g/mol |
| Monoisotopic Mass | 147.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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