heptyl N-(9H-xanthen-9-yl)carbamodithioate

Base Information

• Chemical Name: heptyl N-(9H-xanthen-9-yl)carbamodithioate
• CAS No.: 6326-08-5
• Molecular Formula: C21H25 N O S2
• Molecular Weight: 371.5593
• NSC Number: 31175
• DSSTox Substance ID: DTXSID70364621

Synonyms:6326-08-5;NSC31175;heptyl N-(9H-xanthen-9-yl)carbamodithioate;DTXSID70364621;NSC-31175

Chemical Property of heptyl N-(9H-xanthen-9-yl)carbamodithioate

Chemical Property:

• Vapor Pressure: 1.52E-09mmHg at 25°C
• Boiling Point: 484.6°C at 760 mmHg
• Flash Point: 246.9°C
• Density: 1.19g/cm³
• XLogP3: 6.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 371.13775677
• Heavy Atom Count: 25
• Complexity: 395

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCSC(=S)NC1C2=CC=CC=C2OC3=CC=CC=C13

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