| CAS Number | 1479499-40-5 |
| Catalog Number | AG01C2SL |
| Chemical Name | 5-(Carbamoylmethyl)thiophene-2-sulfonyl chloride |
| IUPAC Name | 5-(2-amino-2-oxoethyl)thiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C6H6ClNO3S2/c7-13(10,11)6-2-1-4(12-6)3-5(8)9/h1-2H,3H2,(H2,8,9) |
| InChI Key | XUKWKPLARLFETL-UHFFFAOYSA-N |
| MDL Number | MFCD21196010 |
| Molecular Formula | C6H6ClNO3S2 |
| Molecular Weight | 239.6997 |
| SMILES | NC(CC1SC(S(Cl)(=O)=O)=CC=1)=O |
| Synonyms | 5-(carbamoylmethyl)thiophene-2-sulfonyl chloride,
1479499-40-5,
AKOS014703954,
ZINC108311249,
FCH5717109,
BBV-39893044,
EN300-252881,
|
| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.688g/mol |
| Monoisotopic Mass | 238.948g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number