| CAS Number | 1181458-46-7 |
| Catalog Number | AG019VE0(AGN-PC-0WORGG) |
| Chemical Name | 6-Ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydrochloride |
| IUPAC Name | 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C9H14N2S.ClH/c1-2-6-3-4-7-8(5-6)12-9(10)11-7;/h6H,2-5H2,1H3,(H2,10,11);1H |
| InChI Key | WBACAUGJHGDOTP-UHFFFAOYSA-N |
| MDL Number | MFCD12197355 |
| Molecular Formula | C9H15ClN2S |
| Molecular Weight | 218.7468 |
| SMILES | NC1=NC2=C(S1)CC(CC)CC2.Cl |
| Synonyms | 6-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine hydrochloride,
1181458-46-7,
AC1Q39OA,
CTK6D1941,
AKOS008095869,
MCULE-4236545221,
EN300-45000,
Z594038180,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 218.743g/mol |
| Monoisotopic Mass | 218.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number