| CAS Number | 89379-25-9 |
| Catalog Number | AG01AC64(AGN-PC-0WO98I) |
| Chemical Name | 5-Methylthiophene-3-sulfonyl chloride |
| IUPAC Name | 5-methylthiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C5H5ClO2S2/c1-4-2-5(3-9-4)10(6,7)8/h2-3H,1H3 |
| InChI Key | ACAVTGXHELOTGZ-UHFFFAOYSA-N |
| MDL Number | MFCD19200570 |
| Molecular Formula | C5H5ClO2S2 |
| Molecular Weight | 196.6750 |
| SMILES | CC1SC=C(S(Cl)(=O)=O)C=1 |
| Synonyms | 5-methylthiophene-3-sulfonyl chloride,
89379-25-9,
3-Thiophenesulfonyl chloride, 5-methyl-,
SCHEMBL11475698,
5-Methyl-3-thiophenesulfonyl chloride,
AKOS006336286,
ZINC100488261,
NE41570,
Z1962150247,
|
| Complexity | 206 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.663g/mol |
| Monoisotopic Mass | 195.942g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number