2-Propynyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate

Base Information

• Chemical Name: 2-Propynyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate
• CAS No.: 74797-21-0
• Molecular Formula: C18H15NO2S
• Molecular Weight: 309.3822
• DSSTox Substance ID: DTXSID20996315
• Mol file: 74797-21-0.mol

Synonyms:74797-21-0;BRN 4521820;VUFB-12442;2-Propynyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate;prop-2-ynyl N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)carbamate;Carbamic acid, (6,11-dihydrodibenzo(b,e)thiepin-11-yl)-, 2-propynyl ester;Oprea1_119786;2-propynyl 6,11-dihydrodibenzo[b,e]thiepin-11-ylcarbamate;DTXSID20996315;OZZPMULGGPFJHX-UHFFFAOYSA-N;AKOS005066054;LS-49354;AE-641/30116058;Prop-2-yn-1-yl hydrogen 6,11-dihydrodibenzo[b,e]thiepin-11-ylcarbonimidate

Chemical Property of 2-Propynyl (6,11-dihydrodibenzo(b,e)thiepin-11-yl)carbamate

Chemical Property:

• Vapor Pressure: 5.74E-09mmHg at 25°C
• Boiling Point: 468.9°Cat760mmHg
• Flash Point: 237.4°C
• PSA: 67.12000
• Density: 1.29g/cm³
• LogP: 3.94550
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 309.08234989
• Heavy Atom Count: 22
• Complexity: 444

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC(=O)NC1C2=CC=CC=C2CSC3=CC=CC=C13