| CAS Number | 190375-00-9 |
| Catalog Number | AG01B17Q(AGN-PC-01VYK2) |
| Chemical Name | Methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate |
| IUPAC Name | methyl 3-chlorosulfonyl-4-methylthiophene-2-carboxylate |
| InChI | InChI=1S/C7H7ClO4S2/c1-4-3-13-5(7(9)12-2)6(4)14(8,10)11/h3H,1-2H3 |
| InChI Key | ZVULPSJAJURKJK-UHFFFAOYSA-N |
| MDL Number | MFCD20133310 |
| Molecular Formula | C7H7ClO4S2 |
| Molecular Weight | 254.7111 |
| SMILES | COC(C1=C(S(Cl)(=O)=O)C(C)=CS1)=O |
| Synonyms | methyl 3-(chlorosulfonyl)-4-methylthiophene-2-carboxylate,
190375-00-9,
SCHEMBL7031824,
AKOS026745219,
ZINC100542424,
NE16566,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.947g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.699g/mol |
| Monoisotopic Mass | 253.947g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 97.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number