| CAS Number | 67448-64-0 |
| Catalog Number | AG01BG76(AGN-PC-02OCXO) |
| Chemical Name | Pent-4-Yne-1-Sulfonyl Chloride |
| IUPAC Name | pent-4-yne-1-sulfonyl chloride |
| InChI | InChI=1S/C5H7ClO2S/c1-2-3-4-5-9(6,7)8/h1H,3-5H2 |
| InChI Key | NYFAHXOSIXLIKV-UHFFFAOYSA-N |
| MDL Number | MFCD19200720 |
| Molecular Formula | C5H7ClO2S |
| Molecular Weight | 166.6259 |
| SMILES | C(CCC#C)S(=O)(=O)Cl |
| Synonyms | pent-4-yne-1-sulfonyl chloride,
67448-64-0,
SCHEMBL10714439,
ZINC59388141,
AKOS006335442,
NE37570,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.619g/mol |
| Monoisotopic Mass | 165.986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number