RefChem:339814
2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethyl-dimethylazanium chloride
Also Known As: RefChem:339814|AC1L18WE|Ethanamine, 2-((8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethyl-, hydrochloride|2-((8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)thio)-N,N-dimethylethanamine HCl|8-Chloro-10-(2-dimethylaminoethylthio)-10,11-dihydrodibenzo(b,f)thiepin hydrochloride|2-[(8-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]ethyl-dimethylazaniumchloride|2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethyl-dimethylazanium chloride
| Molecular Formula | C18H21Cl2NS2 |
|---|---|
| Molecular Weight | 385.04926 g/mol |
| LogP | 0.97 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.04926 |
| Heavy Atoms | 23 |
| Complexity | 661.2 |
Chemical Identifiers
| CAS Number | 69195-80-8 |
|---|---|
| SMILES | C[NH+](C)CCSC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-] |
Product Overview
RefChem:339814 (CAS 69195-80-8), with molecular formula C18H21Cl2NS2 and molecular weight 385.04926 g/mol. IUPAC: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]ethyl-dimethylazanium chloride.
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