2-[(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]-n,n-dimethylethanamine
Basic information
- CAS
72291-43-1- Standard SMILES
CN(C)CCSC1Cc2ccccc2Sc2ccc(Cl)cc21- InChIKey
NVCDUOHNVZCSOM-UHFFFAOYSA-N- Molecular formula
- C18H20ClNS2
- Average molar mass
- 349.9 g/mol
- Monoisotopic mass
- 349.0725697
Names & identifiers
- Preferred name
- 2-[(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]-n,n-dimethylethanamine
- IUPAC
- 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)sulfanyl]-N,N-dimethylethanamine
- English name
- 8-Chloro-10-[[2-(dimethylamino)ethyl]thio]-10,11-dihydrodibenzo[b,f]thiepin
- Molecular formula
- C18H20ClNS2
- Molecular weight
- 0
Names & synonyms
Oprea1_707686CHEMBL278257SCHEMBL106707232-[(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)sulfanyl]-n,n-dimethylethanamineAE-641/301140068-Chloro-10-[[2-(dimethylamino)ethyl]thio]-10,11-dihydrodibenzo[b,f]thiepin[2-(8-chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-ylsulfanyl)-ethyl]-dimethyl-amine
Database identifiers
- CAS
72291-43-1- PubChem CID
- 50326
- ChEMBL
CHEMBL278257- Nikkaji
- J395.312B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
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Related reactions
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Compound notes
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