| CAS Number | 155731-15-0 |
| Catalog Number | AG01BHKP(AGN-PC-0Q6YYP) |
| Chemical Name | 2-(tert-butylsulfamoyl)-5-chlorothiophene-3-carboxylic acid |
| IUPAC Name | 2-(tert-butylsulfamoyl)-5-chlorothiophene-3-carboxylic acid |
| InChI | InChI=1S/C9H12ClNO4S2/c1-9(2,3)11-17(14,15)8-5(7(12)13)4-6(10)16-8/h4,11H,1-3H3,(H,12,13) |
| InChI Key | AAGPMZWZIZWWFA-UHFFFAOYSA-N |
| MDL Number | MFCD28145302 |
| Molecular Formula | C9H12ClNO4S2 |
| Molecular Weight | 297.7789 |
| SMILES | CC(NS(C1=C(C(O)=O)C=C(Cl)S1)(=O)=O)(C)C |
| Synonyms | 2-(tert-butylsulfamoyl)-5-chlorothiophene-3-carboxylic acid,
155731-15-0,
SCHEMBL8477444,
AAGPMZWZIZWWFA-UHFFFAOYSA-N,
ZINC38880660,
Z2232973411,
2-(N-tert-butylsulfamoyl)-5-chlorothiophene-3-carboxylic acid,
CID10447371,
5-chloro-2-(tert-butylsulfamoyl)thiophene-3-carboxylic Acid,
|
| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.768g/mol |
| Monoisotopic Mass | 296.99g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number