| CAS Number | 150395-08-7 |
| Catalog Number | AG01BXZG(AGN-PC-0O43XU) |
| Chemical Name | 8-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine |
| IUPAC Name | 8-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine |
| InChI | InChI=1S/C9H10ClNS/c10-7-2-3-8-9(6-7)12-5-1-4-11-8/h2-3,6,11H,1,4-5H2 |
| InChI Key | KIXPBIFMDWHONF-UHFFFAOYSA-N |
| MDL Number | MFCD20681635 |
| Molecular Formula | C9H10ClNS |
| Molecular Weight | 199.7004 |
| SMILES | ClC1=CC2=C(NCCCS2)C=C1 |
| Synonyms | 8-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepine,
150395-08-7,
AKOS023561533,
ZINC107142909,
Z2692093629,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.696g/mol |
| Monoisotopic Mass | 199.022g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number