8-Chloro-10-(ethoxycarbonylamino)-10,11-dihydrodibenzo(b,f)thiepin

Base Information

• Chemical Name: 8-Chloro-10-(ethoxycarbonylamino)-10,11-dihydrodibenzo(b,f)thiepin
• CAS No.: 69195-61-5
• Molecular Formula: C17H16ClNO2S
• Molecular Weight: 333.8324
• DSSTox Substance ID: DTXSID80988892
• Nikkaji Number: J395.340H
• Mol file: 69195-61-5.mol

Synonyms:69195-61-5;VUFB-12449;BRN 1396800;8-Chloro-10-(ethoxycarbonylamino)-10,11-dihydrodibenzo(b,f)thiepin;ethyl N-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)carbamate;Ethyl (8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)carbamate;Carbamic acid, (8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, ethyl ester;Oprea1_197521;DTXSID80988892;HPDNNBBTSMILMR-UHFFFAOYSA-N;LS-49130;AE-641/30117001;ethyl 8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-ylcarbamate;Ethyl hydrogen (8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)carbonimidate

Chemical Property of 8-Chloro-10-(ethoxycarbonylamino)-10,11-dihydrodibenzo(b,f)thiepin

Chemical Property:

• Vapor Pressure: 1.67E-08mmHg at 25°C
• Boiling Point: 456.1°Cat760mmHg
• Flash Point: 229.6°C
• PSA: 67.12000
• Density: 1.34g/cm³
• LogP: 5.03890
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 333.0590276
• Heavy Atom Count: 22
• Complexity: 395

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl