| CAS Number | 1909348-24-8 |
| Catalog Number | AG01C1TO |
| Chemical Name | 5-methyl-2-nitrothiophene-3-sulfonyl chloride |
| IUPAC Name | 5-methyl-2-nitrothiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C5H4ClNO4S2/c1-3-2-4(13(6,10)11)5(12-3)7(8)9/h2H,1H3 |
| InChI Key | VAQYDRAXPWODHF-UHFFFAOYSA-N |
| MDL Number | MFCD29906791 |
| Molecular Formula | C5H4ClNO4S2 |
| Molecular Weight | 241.6726 |
| SMILES | CC1SC([N+]([O-])=O)=C(S(Cl)(=O)=O)C=1 |
| Synonyms | 5-methyl-2-nitrothiophene-3-sulfonyl chloride,
1909348-24-8,
ZINC307089421,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.66g/mol |
| Monoisotopic Mass | 240.927g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 117A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number