| CAS Number | 90273-31-7 |
| Catalog Number | AG019YZP(AGN-PC-03XWFD) |
| Chemical Name | 2-methyl-1-benzothiophene-3-sulfonyl chloride |
| IUPAC Name | 2-methyl-1-benzothiophene-3-sulfonyl chloride |
| InChI | InChI=1S/C9H7ClO2S2/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3 |
| InChI Key | OPIFKAGXIKNRIR-UHFFFAOYSA-N |
| MDL Number | MFCD19200125 |
| Molecular Formula | C9H7ClO2S2 |
| Molecular Weight | 246.7337 |
| SMILES | CC1=C(S(Cl)(=O)=O)C2=C(C=CC=C2)S1 |
| Synonyms | 2-methyl-1-benzothiophene-3-sulfonyl chloride,
90273-31-7,
SCHEMBL6957613,
OPIFKAGXIKNRIR-UHFFFAOYSA-N,
AKOS006334242,
ZINC100443395,
NE43733,
2-methylbenzo[b]thiophene-3-sulfonyl chloride,
Benzo[b]thiophene-3-sulfonyl chloride, 2-methyl-,
Benzo[b]thiophene-3-sulfonyl chloride, 2-methyl,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.723g/mol |
| Monoisotopic Mass | 245.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number