| CAS Number | 74370-96-0 |
| Catalog Number | AG00J0P8(AGN-PC-0WAYO5) |
| Chemical Name | Methyl 3-(chlorosulfonyl)-1-benzothiophene-2-carboxylate |
| IUPAC Name | methyl 3-chlorosulfonyl-1-benzothiophene-2-carboxylate |
| InChI | InChI=1S/C10H7ClO4S2/c1-15-10(12)8-9(17(11,13)14)6-4-2-3-5-7(6)16-8/h2-5H,1H3 |
| InChI Key | ZMSSTGLPSBEKBJ-UHFFFAOYSA-N |
| MDL Number | MFCD18483216 |
| Molecular Formula | C10H7ClO4S2 |
| Molecular Weight | 290.7432 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)C2=C(C=CC=C2)S1)=O |
| Synonyms | methyl 3-(chlorosulfonyl)-1-benzothiophene-2-carboxylate,
74370-96-0,
C10H7ClO4S2,
SCHEMBL10969896,
ZMSSTGLPSBEKBJ-UHFFFAOYSA-N,
KS-000023GR,
BBL000972,
HTS004766,
MFCD18483216,
STL112414,
AKOS005738878,
ZINC100027250,
BS-3577,
MCULE-5608884346,
H6075,
EN300-73806,
2-methoxycarbonyl-benzo[b]-thiophene-3-sulfonic acid chloride,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.732g/mol |
| Monoisotopic Mass | 289.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number