| CAS Number | 117040-68-3 |
| Catalog Number | AG01CAAJ(AGN-PC-000TPB) |
| Chemical Name | 4,5,6,7-Tetrahydro-2-benzothiophen-5-one |
| IUPAC Name | 6,7-dihydro-4H-2-benzothiophen-5-one |
| InChI | InChI=1S/C8H8OS/c9-8-2-1-6-4-10-5-7(6)3-8/h4-5H,1-3H2 |
| InChI Key | AFXBAQIPVHXDIN-UHFFFAOYSA-N |
| MDL Number | MFCD24704384 |
| Molecular Formula | C8H8OS |
| Molecular Weight | 152.2135 |
| SMILES | O=C1CC2C(=CSC=2)CC1 |
| Synonyms | 4,5,6,7-tetrahydro-2-benzothiophen-5-one,
117040-68-3,
SCHEMBL9295831,
6,7-dihydrobenzo[c]thiophen-5(4H)-one,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.211g/mol |
| Monoisotopic Mass | 152.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number