4-Phenyl-1,3-benzothiazole-2(3H)-thione

Base Information

• Chemical Name: 4-Phenyl-1,3-benzothiazole-2(3H)-thione
• CAS No.: 5343-83-9
• Molecular Formula: C13H9NS2
• Molecular Weight: 243.3473
• DSSTox Substance ID: DTXSID70409283
• Nikkaji Number: J2.038.772F
• NSC Number: 503
• Mol file: 5343-83-9.mol

Synonyms:4-Phenyl-1,3-benzothiazole-2(3H)-thione;5343-83-9;NSC503;SCHEMBL1772204;4-PHENYLBENZOTHIAZOLETHIOL;DTXSID70409283;NSC-503

Chemical Property of 4-Phenyl-1,3-benzothiazole-2(3H)-thione

Chemical Property:

• Vapor Pressure: 2.16E-07mmHg at 25°C
• Boiling Point: 423.9°Cat760mmHg
• Flash Point: 210.2°C
• Density: 1.39g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 243.01764164
• Heavy Atom Count: 16
• Complexity: 273

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C3C(=CC=C2)SC(=S)N3

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