| CAS Number | 1052544-66-7 |
| Catalog Number | AG008TQ2(AGN-PC-0WOWOJ) |
| Chemical Name | 6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine hydrochloride |
| IUPAC Name | 6-fluoro-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride |
| InChI | InChI=1S/C9H10FNS.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H |
| InChI Key | XLHOXUKQTUIYPM-UHFFFAOYSA-N |
| MDL Number | MFCD07685849 |
| Molecular Formula | C9H11ClFNS |
| Molecular Weight | 219.7067 |
| SMILES | NC1CCSC2=CC=C(F)C=C12.[H]Cl |
| Synonyms | 1052544-66-7,
6-fluoro-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride,
6-Fluorothiochroman-4-amine hydrochloride,
6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-amine hydrochloride,
AC1Q3D30,
SCHEMBL1003456,
CTK7C1420,
XLHOXUKQTUIYPM-UHFFFAOYSA-N,
AKOS024015344,
MCULE-1277593960,
EN300-15181,
J-518717,
Z119992354,
6-fluoro-3,4-dihydro-2H-thiochromen-4-amine hydrochloride,
4-[[(aminocarbonyl)amino]methyl]benzoic acid,
|
| 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