| CAS Number | 89979-18-0 |
| Catalog Number | AG019LO1(AGN-PC-0LWTVT) |
| Chemical Name | 6-chloro-3,4-dihydro-2H-1,4-benzothiazine |
| IUPAC Name | 6-chloro-3,4-dihydro-2H-1,4-benzothiazine |
| InChI | InChI=1S/C8H8ClNS/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4H2 |
| InChI Key | MQJYQSKAJAUCJD-UHFFFAOYSA-N |
| MDL Number | MFCD08271863 |
| Molecular Formula | C8H8ClNS |
| Molecular Weight | 185.6738 |
| SMILES | ClC1=CC2=C(SCCN2)C=C1 |
| Synonyms | 6-chloro-3,4-dihydro-2H-1,4-benzothiazine,
89979-18-0,
AC1OFMOZ,
AC1Q3KO7,
SCHEMBL616341,
CTK6H2147,
ZINC4219230,
AKOS009115060,
MCULE-2817022861,
NE13800,
SC-29510,
EN300-31925,
AB00992857-01,
6-Chloro-3,4-dihydro-2H-1,4-benzothiazine, AldrichCPR,
ZINC04219230,
CID7131981,
|
| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.669g/mol |
| Monoisotopic Mass | 185.007g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number