| CAS Number | 40358-04-1 |
| Catalog Number | AG00C78C(AGN-PC-01NKIZ) |
| Chemical Name | 4-nitrothiophene-2-sulfonyl chloride |
| IUPAC Name | 4-nitrothiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C4H2ClNO4S2/c5-12(9,10)4-1-3(2-11-4)6(7)8/h1-2H |
| InChI Key | WUMGHGGPZKZYNN-UHFFFAOYSA-N |
| MDL Number | MFCD11858024 |
| Molecular Formula | C4H2ClNO4S2 |
| Molecular Weight | 227.6460 |
| SMILES | [O-][N+](C1C=C(S(Cl)(=O)=O)SC=1)=O |
| Synonyms | 4-nitrothiophene-2-sulfonyl chloride,
40358-04-1,
AC1Q1Y8O,
SCHEMBL18228,
CTK3I9190,
DTXSID80591966,
WUMGHGGPZKZYNN-UHFFFAOYSA-N,
4-nitro-thiophene-2-sulfonyl chloride,
AKOS006223888,
ZINC100003152,
NE51279,
2-Thiophenesulfonyl chloride, 4-nitro-,
EN300-43162,
4-nitrothiophene-2-sulfonly chloride,
4-NITROTHIOPHENE-2-SULFONYLCHLORIDE,
|
| 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