| CAS Number | 725711-25-1 |
| Catalog Number | AG019J01 |
| Chemical Name | N-[4-chloro-5-formyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide |
| IUPAC Name | N-(4-chloro-5-formyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide |
| InChI | InChI=1S/C11H9ClN2O3S3/c1-2-5-14-10(12)8(7-15)19-11(14)13-20(16,17)9-4-3-6-18-9/h2-4,6-7H,1,5H2 |
| InChI Key | COURAVQVMMYNRY-UHFFFAOYSA-N |
| MDL Number | MFCD06655014 |
| Molecular Formula | C11H9ClN2O3S3 |
| Molecular Weight | 348.8488 |
| SMILES | ClC1N(CC=C)C(=NS(C2SC=CC=2)(=O)=O)SC=1C=O |
| Synonyms | 725711-25-1,
N-[4-chloro-5-formyl-3-(prop-2-en-1-yl)-2,3-dihydro-1,3-thiazol-2-ylidene]thiophene-2-sulfonamide,
AC1M5H7L,
CTK5J4461,
AKOS030750813,
ZINC100392135,
MCULE-1569540012,
N-(4-chloro-5-formyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)thiophene-2-sulfonamide,
ZINC05560580,
CID2378511,
N-[(2E)-3-allyl-4-chloro-5-formyl-1,3-thiazol-2(3H)-ylidene]thiophene-2-sulfonamide,
|
| Complexity | 580 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.834g/mol |
| Monoisotopic Mass | 347.946g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 129A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number