5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol

Base Information

• Chemical Name: 5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol
• CAS No.: 175277-94-8
• Molecular Formula: C10H7F3N2S3
• Molecular Weight: 308.37
• Hs Code.: 2934999090
• European Community (EC) Number: 670-987-6
• DSSTox Substance ID: DTXSID40380530
• Wikidata: Q82170794
• Mol file: 175277-94-8.mol

Synonyms:175277-94-8;5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol;5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione;5-[3-(trifluoromethyl)benzylthio]-1,3,4-thiadiazole-2-thiol;5-[3-(Trifluoromethyl)benzylthio]-1,3,4-thiadia-zole-2-thiol;5-(3-(Trifluoromethyl)benzylthio)-1,3,4-thiadiazole-2-thiol;5-{[3-(Trifluoromethyl)benzyl]thio}-1,3,4-thiadiazole-2-thiol;Maybridge1_000143;MixCom1_000275;SCHEMBL6097608;DTXSID40380530;CCG-49463;MFCD00052195;AKOS015852851;1,3,4-Thiadiazole-2(3H)-thione,5-[[[3-(trifluoromethyl)phenyl]methyl]thio]-;TL 00206;FT-0619888;A812032;SR-01000638914-1;5-({[3-(Trifluoromethyl)phenyl]methyl}sulfanyl)-1,3,4-thiadiazole-2(3H)-thione

Chemical Property of 5-((3-(Trifluoromethyl)benzyl)thio)-1,3,4-thiadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 2.71E-05mmHg at 25°C
• Melting Point: 140 °C
• Refractive Index: 1.656
• Boiling Point: 357.5 °C at 760 mmHg
• Flash Point: 170 °C
• PSA: 118.12000
• Density: 1.55 g/cm³
• LogP: 4.13790
• Sensitive.: Stench
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 307.97234624
• Heavy Atom Count: 18
• Complexity: 357

Purity/Quality:

98%min ^*data from raw suppliers

5-{[3-(Trifluoromethyl)benzyl]thio}-1,3,4-thiadiazole-2-thiol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)CSC2=NNC(=S)S2
• Uses: thiadiazole pharmaceutical intermediate