2-Phenyl-2H-1,3,2-benzothiazaphosphorine 2-sulfide

Base Information

• Chemical Name: 2-Phenyl-2H-1,3,2-benzothiazaphosphorine 2-sulfide
• CAS No.: 73713-83-4
• Molecular Formula: C13H10NPS2
• Molecular Weight: 275.33
• DSSTox Substance ID: DTXSID40994590
• Nikkaji Number: J65.519H
• Mol file: 73713-83-4.mol

Synonyms:2-Phenyl-2H-1,3,2-benzothiazaphosphorine 2-sulfide;73713-83-4;2H-1,3,2-Benzothiazaphosphorine, 2-phenyl-, 2-sulfide;C13H10NPS2;DTXSID40994590;C13-H10-N-P-S2;LS-40504;2-Phenyl-2H-1,3,2lambda~5~-benzothiazaphosphinine-2-thione

Chemical Property of 2-Phenyl-2H-1,3,2-benzothiazaphosphorine 2-sulfide

Chemical Property:

• Vapor Pressure: 8.52E-08mmHg at 25°C
• Boiling Point: 448°C at 760 mmHg
• PKA: -2.92±0.20(Predicted)
• Flash Point: 224.7°C
• PSA: 79.56000
• Density: 1.34g/cm³
• LogP: 3.93240
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 274.99922867
• Heavy Atom Count: 17
• Complexity: 349

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)P2(=S)N=CC3=CC=CC=C3S2