| CAS Number | 1249044-16-3 |
| Catalog Number | AG00HHU1(AGN-PC-0WOR98) |
| Chemical Name | 1-methanesulfonylcyclopropane-1-carbonitrile |
| IUPAC Name | 1-methylsulfonylcyclopropane-1-carbonitrile |
| InChI | InChI=1S/C5H7NO2S/c1-9(7,8)5(4-6)2-3-5/h2-3H2,1H3 |
| InChI Key | WRLGBOYPWRGXFW-UHFFFAOYSA-N |
| MDL Number | MFCD16766454 |
| Molecular Formula | C5H7NO2S |
| Molecular Weight | 145.1796 |
| SMILES | CS(C1(C#N)CC1)(=O)=O |
| Synonyms | 1-(METHYLSULFONYL)CYCLOPROPANECARBONITRILE,
1249044-16-3,
1-methanesulfonylcyclopropane-1-carbonitrile,
Cyclopropanecarbonitrile, 1-(methylsulfonyl)-,
SCHEMBL14734082,
MFCD16766454,
ZINC52788868,
AKOS011762541,
AS-42201,
DA-13607,
FT-0743716,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.176g/mol |
| Monoisotopic Mass | 145.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
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