| CAS Number | 1239717-06-6 |
| Catalog Number | AG01B9FZ |
| Chemical Name | 2H,3H,5H-1lambda6-thieno[2,3-c]pyrrole-1,1-dione |
| IUPAC Name | 3,5-dihydro-2H-thieno[2,3-c]pyrrole 1,1-dioxide |
| InChI | InChI=1S/C6H7NO2S/c8-10(9)2-1-5-3-7-4-6(5)10/h3-4,7H,1-2H2 |
| InChI Key | YYCWRYXILPVVRC-UHFFFAOYSA-N |
| MDL Number | MFCD20687941 |
| Molecular Formula | C6H7NO2S |
| Molecular Weight | 157.1903 |
| SMILES | S1(CCC=2C1=CNC2)(=O)=O |
| Synonyms | 2H,3H,5H-1lambda6-thieno[2,3-c]pyrrole-1,1-dione,
1239717-06-6,
ZINC84324752,
AKOS033740851,
2,3-Dihydro-5H-thieno[2,3-c]pyrrole 1,1-dioxide,
2H,3H,5H-1lambda-thieno[2,3-c]pyrrole-1,1-dione,
Z2027049467,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.187g/mol |
| Monoisotopic Mass | 157.02g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number