| CAS Number | 1049751-84-9 |
| Catalog Number | AG0094S8(AGN-PC-0WOVXK) |
| Chemical Name | 6-chloride-thiochroMan-4-ylaMine,hydrochloride |
| IUPAC Name | 6-chloro-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride |
| InChI | InChI=1S/C9H10ClNS.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 | MUERRAOQPFXTNW-UHFFFAOYSA-N |
| MDL Number | MFCD07838331 |
| Molecular Formula | C9H11Cl2NS |
| Molecular Weight | 236.1613 |
| SMILES | C1CSC2=C(C1N)C=C(C=C2)Cl.Cl |
| Synonyms | 1049751-84-9,
6-chloro-3,4-dihydro-2H-thiochromen-4-ylamine hydrochloride,
6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-amine hydrochloride,
EN300-15422,
AC1Q3D2Z,
SCHEMBL1005810,
CTK6H1889,
MFCD07838331,
AKOS026744831,
MCULE-8179275569,
NE62401,
6-chloride-thiochroMan-4-ylaMine,hydrochloride,
Z166605046,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.154g/mol |
| Monoisotopic Mass | 234.999g/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