| CAS Number | 70374-36-6 |
| Catalog Number | AG0069D2(AGN-PC-02SP9Y) |
| Chemical Name | 5-Chloro-3-(methylsulfamoyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-chloro-3-(methylsulfamoyl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C6H6ClNO4S2/c1-8-14(11,12)3-2-4(7)13-5(3)6(9)10/h2,8H,1H3,(H,9,10) |
| InChI Key | SRXBPROHRKDGBA-UHFFFAOYSA-N |
| MDL Number | MFCD15202270 |
| Molecular Formula | C6H6ClNO4S2 |
| Molecular Weight | 255.6991 |
| SMILES | CNS(C1=C(C(O)=O)SC(Cl)=C1)(=O)=O |
| Synonyms | 70374-36-6,
2-Thiophenecarboxylic acid, 5-chloro-3-[(methylamino)sulfonyl]-,
THI088,
SCHEMBL11348958,
CTK2G3013,
DTXSID20606462,
SRXBPROHRKDGBA-UHFFFAOYSA-N,
ZINC58827145,
FT-0743284,
5-chloro-3-methylsulfamoylthiophene-2-carboxylic acid,
5-Chloro-3-(methylsulfamoyl)thiophene-2-carboxylic acid,
5-chloro-3-[(methylamino)sulfonyl]thiophene-2-carboxylic acid,
5-Chloro-3-[(methylamino)sulfonyl]-2-thiophenecarboxylic acid,
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| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.943g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.687g/mol |
| Monoisotopic Mass | 254.943g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number