| CAS Number | 936644-39-2 |
| Catalog Number | AG01BFRI(AGN-PC-0WOVRQ) |
| Chemical Name | but-3-yne-1-sulfonyl chloride |
| IUPAC Name | but-3-yne-1-sulfonyl chloride |
| InChI | InChI=1S/C4H5ClO2S/c1-2-3-4-8(5,6)7/h1H,3-4H2 |
| InChI Key | DWRHSVMNAYQMBM-UHFFFAOYSA-N |
| MDL Number | MFCD19598006 |
| Molecular Formula | C4H5ClO2S |
| Molecular Weight | 152.5993 |
| SMILES | C#CCCS(=O)(=O)Cl |
| Synonyms | but-3-yne-1-sulfonyl chloride,
936644-39-2,
SCHEMBL10712850,
ZINC60120817,
AKOS013218745,
NE24129,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 151.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.592g/mol |
| Monoisotopic Mass | 151.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number