| CAS Number | 41981-20-8 |
| Catalog Number | AG00CL08 |
| Chemical Name | 4-(chloromethyl)-N-phenyl-1,3-thiazol-2-amine hydrochloride |
| IUPAC Name | 4-(chloromethyl)-N-phenyl-1,3-thiazol-2-amine;hydrochloride |
| InChI | InChI=1S/C10H9ClN2S.ClH/c11-6-9-7-14-10(13-9)12-8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,12,13);1H |
| InChI Key | KGWIKNNIDFGACR-UHFFFAOYSA-N |
| MDL Number | MFCD03160812 |
| Molecular Formula | C10H10Cl2N2S |
| Molecular Weight | 261.1708 |
| SMILES | Cl.ClCC1N=C(NC2=CC=CC=C2)SC=1 |
| Synonyms | 4-(chloromethyl)-N-phenyl-1,3-thiazol-2-amine hydrochloride,
41981-20-8,
(4-Chloromethyl-thiazol-2-yl)-phenyl-amine hydrochloride,
2517AJ,
AKOS008028874,
L-2816,
F2145-0258,
C10H9ClN2S.HCl,
35199-21-4,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.164g/mol |
| Monoisotopic Mass | 259.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number