| CAS Number | 1353435-17-2 |
| Catalog Number | AG01B1JM(AGN-PC-0WOVZF) |
| Chemical Name | 5-Chloro-4-methylthiophene-2-sulfonyl chloride |
| IUPAC Name | 5-chloro-4-methylthiophene-2-sulfonyl chloride |
| InChI | InChI=1S/C5H4Cl2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3 |
| InChI Key | DSTGCHNMTLFDBN-UHFFFAOYSA-N |
| MDL Number | MFCD28012218 |
| Molecular Formula | C5H4Cl2O2S2 |
| Molecular Weight | 231.1201 |
| SMILES | CC1=C(Cl)SC(S(Cl)(=O)=O)=C1 |
| Synonyms | 5-chloro-4-methylthiophene-2-sulfonyl chloride,
1353435-17-2,
5-chloro-4-methyl-thiophene-2-sulfonyl chloride,
SCHEMBL9997249,
DSTGCHNMTLFDBN-UHFFFAOYSA-N,
AKOS026744860,
ZINC100544089,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.903g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.105g/mol |
| Monoisotopic Mass | 229.903g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number