| CAS Number | 1052542-90-1 |
| Catalog Number | AG00HALW(AGN-PC-0WOUZL) |
| Chemical Name | 8-Fluorothiochroman-4-amine hydrochloride |
| IUPAC Name | 8-fluoro-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride |
| InChI | InChI=1S/C9H10FNS.ClH/c10-7-3-1-2-6-8(11)4-5-12-9(6)7;/h1-3,8H,4-5,11H2;1H |
| InChI Key | CWTNPFICICJPEH-UHFFFAOYSA-N |
| MDL Number | MFCD07690602 |
| Molecular Formula | C9H11ClFNS |
| Molecular Weight | 219.7067 |
| SMILES | NC1CCSC2=C(F)C=CC=C12.[H]Cl |
| Synonyms | 8-fluoro-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride,
1052542-90-1,
8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine hydrochloride,
EN300-15398,
AC1Q3D32,
CTK7E0299,
MFCD07690602,
AKOS024015343,
MCULE-9904033620,
NE60015,
8-Fluoro-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride, AldrichCPR,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.702g/mol |
| Monoisotopic Mass | 219.028g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number