| CAS Number | 106073-27-2 |
| Catalog Number | AG0084GG(AGN-PC-0K5Y5I) |
| Chemical Name | (2E)-3-(dimethylamino)-2-(methylsulfonyl)acrylonitrile |
| IUPAC Name | 3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile |
| InChI | InChI=1S/C6H10N2O2S/c1-8(2)5-6(4-7)11(3,9)10/h5H,1-3H3 |
| InChI Key | YGCYQSVPXXQVCC-UHFFFAOYSA-N |
| MDL Number | MFCD00202578 |
| Molecular Formula | C6H10N2O2S |
| Molecular Weight | 174.2208 |
| SMILES | S(C)(=O)(=O)/C(/C#N)=C/N(C)C |
| Synonyms | 3-(Dimethylamino)-2-(methylsulfonyl)acrylonitrile,
2-Propenenitrile, 3-(dimethylamino)-2-(methylsulfonyl)-,
106073-27-2,
858135-91-8,
AC1MWYYC,
ACMC-20m9kb,
SCHEMBL6214591,
CTK0G3969,
DTXSID30396004,
AKOS017404956,
MCULE-4496850823,
RP23643,
KS-00002195,
3-(dimethylamino)-2-methylsulfonylprop-2-enenitrile,
ZINC01402856,
CID3757310,
3-(dimethylamino)-2-methanesulfonylprop-2-enenitrile,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.218g/mol |
| Monoisotopic Mass | 174.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number