3H-Naphtho[2,1-b]thiopyran

Base Information

• Chemical Name: 3H-Naphtho[2,1-b]thiopyran
• CAS No.: 229-86-7
• Molecular Formula: C13H10S
• Molecular Weight: 198.28300
• DSSTox Substance ID: DTXSID40540834
• Wikidata: Q82416958
• Mol file: 229-86-7.mol

Synonyms:3H-Naphtho[2,1-b]thiopyran;thiaphenanthrene;229-86-7;SCHEMBL3065330;DTXSID40540834

Chemical Property of 3H-Naphtho[2,1-b]thiopyran

Chemical Property:

• Melting Point: 88-90 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 357.8±22.0 °C(Predicted)
• PSA: 25.30000
• Density: 1?+-.0.06 g/cm3(Predicted)
• LogP: 3.95870
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 198.05032149
• Heavy Atom Count: 14
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C=CC2=C(S1)C=CC3=CC=CC=C32