| CAS Number | 901273-37-8 |
| Catalog Number | AG01A73Q(AGN-PC-0WO7R3) |
| Chemical Name | 6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-amine |
| IUPAC Name | 6-chloro-3,4-dihydro-2H-thiochromen-4-amine |
| InChI | InChI=1S/C9H10ClNS/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2 |
| InChI Key | WVOPBIDNAGCFIJ-UHFFFAOYSA-N |
| MDL Number | MFCD08271809 |
| Molecular Formula | C9H10ClNS |
| Molecular Weight | 199.7004 |
| SMILES | NC1C2=C(C=CC(=C2)Cl)SCC1 |
| Synonyms | 6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-amine,
901273-37-8,
6-chlorothiochroman-4-amine,
SCHEMBL3406508,
AKOS009075398,
MCULE-5462943814,
NE31219,
RP25737,
2H-1-Benzothiopyran-4-amine, 6-chloro-3,4-dihydro,
|
| Complexity | 165 |
| 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 | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number