| CAS Number | 1421602-28-9 |
| Catalog Number | AG01AHJT(AGN-PC-0WO3RX) |
| Chemical Name | 2-Nitrothiophene-3-sulfonyl chloride |
| IUPAC Name | 2-nitrothiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C4H2ClNO4S2/c5-12(9,10)3-1-2-11-4(3)6(7)8/h1-2H |
| InChI Key | SUEQUOBMHCCRCH-UHFFFAOYSA-N |
| MDL Number | MFCD22392247 |
| Molecular Formula | C4H2ClNO4S2 |
| Molecular Weight | 227.6460 |
| SMILES | [O-][N+](C1=C(S(Cl)(=O)=O)C=CS1)=O |
| Synonyms | 2-nitrothiophene-3-sulfonyl chloride,
1421602-28-9,
AKOS026727317,
ZINC100629006,
NE42209,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.633g/mol |
| Monoisotopic Mass | 226.911g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number