| CAS Number | 3234-31-9 |
| Catalog Number | AG003ART(AGN-PC-0JSMFH) |
| Chemical Name | 3,3'-Sulfonylbis[propanenitrile] |
| IUPAC Name | 3-(2-cyanoethylsulfonyl)propanenitrile |
| InChI | InChI=1S/C6H8N2O2S/c7-3-1-5-11(9,10)6-2-4-8/h1-2,5-6H2 |
| InChI Key | PPHKBPXYLUBVBY-UHFFFAOYSA-N |
| MDL Number | MFCD00019877 |
| Molecular Formula | C6H8N2O2S |
| Molecular Weight | 172.2049 |
| SMILES | O=S(CCC#N)(CCC#N)=O |
| Synonyms | 3,3'-Sulfonyldipropionitrile,
AC1LBVN7,
SCHEMBL5663638,
PPHKBPXYLUBVBY-UHFFFAOYSA-N,
ZINC2163511,
3-(2-cyanoethylsulfonyl)propanenitrile,
AKOS024332641,
MCULE-9096527493,
3234-31-9,
CID543120,
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| Complexity | 269 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.202g/mol |
| Monoisotopic Mass | 172.031g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 90.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number