| CAS Number | 35517-25-0 |
| Catalog Number | AG019Y7N(AGN-PC-0WAAC2) |
| Chemical Name | 4-Cyanobutane-1-sulfonyl chloride |
| IUPAC Name | 4-cyanobutane-1-sulfonyl chloride |
| InChI | InChI=1S/C5H8ClNO2S/c6-10(8,9)5-3-1-2-4-7/h1-3,5H2 |
| InChI Key | DRTLCNOBWNMKHN-UHFFFAOYSA-N |
| MDL Number | MFCD14684119 |
| Molecular Formula | C5H8ClNO2S |
| Molecular Weight | 181.6405 |
| SMILES | ClS(CCCCC#N)(=O)=O |
| Synonyms | 4-cyanobutane-1-sulfonyl chloride,
35517-25-0,
1-Butanesulfonylchloride,4-cyano-,
AC1Q3VPR,
4-Cyanobutanesulfonyl chloride,
SCHEMBL9990991,
CTK7D0052,
4-Cyano-1-butanesulfonyl chloride,
AKOS010782370,
ZINC100600831,
NE17554,
EN300-57308,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.634g/mol |
| Monoisotopic Mass | 180.996g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number