4-(3,4-Dihydroxyphenyl)-1,3-dithiol-2-thione

Base Information

• Chemical Name: 4-(3,4-Dihydroxyphenyl)-1,3-dithiol-2-thione
• CAS No.: 153275-67-3
• Molecular Formula: C9H6O2S3
• Molecular Weight: 242.3377
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID10576281
• Wikidata: Q82465873
• Mol file: 153275-67-3.mol

Synonyms:153275-67-3;4-(3,4-Dihydroxyphenyl)-1,3-dithiol-2-thione;4-(3,4-dihydroxyphenyl)-1,3-dithiole-2-thione;1,3-Dithiole-2-thione,4-(3,4-dihydroxyphenyl)-;DTXSID10576281;AKOS015856337;4-(3,4-dihydroxyphenyl)-2H-1,3-dithiole-2-thione

Chemical Property of 4-(3,4-Dihydroxyphenyl)-1,3-dithiol-2-thione

Chemical Property:

• Vapor Pressure: 1.81E-10mmHg at 25°C
• Refractive Index: 1.874
• Boiling Point: 496.2 °C at 760 mmHg
• PKA: 9.40±0.10(Predicted)
• Flash Point: 253.9 °C
• PSA: 129.03000
• Density: 1.71 g/cm³
• LogP: 3.61730
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 241.95299295
• Heavy Atom Count: 14
• Complexity: 277

Purity/Quality:

98%min ^*data from raw suppliers

4-(3,4-Dihydroxyphenyl)-1,3-dithiol-2-thione 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2=CSC(=S)S2)O)O