(3,4-Difluorophenyl)methanethiol

Base Information

• Chemical Name: (3,4-Difluorophenyl)methanethiol
• CAS No.: 666752-97-2
• Molecular Formula: C7H6F2S
• Molecular Weight: 160.1843464
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID80375768
• Wikidata: Q82164440
• Mol file: 666752-97-2.mol

Synonyms:(3,4-difluorophenyl)methanethiol;666752-97-2;3,4-Difluorobenzyl mercaptan;MFCD06798020;BENZENEMETHANETHIOL, 3,4-DIFLUORO-;SCHEMBL4083143;DTXSID80375768;PMVFMBMIMRXHDS-UHFFFAOYSA-N;GEO-01068;AKOS005257678;3,4-difluorobenzyl mercaptan, AldrichCPR;CS-0268865;EN300-1085547;A923744

Chemical Property of (3,4-Difluorophenyl)methanethiol

Chemical Property:

• PSA: 38.80000
• LogP: 2.39460
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 160.01582769
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

(3,4-Difluorophenyl)methanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CS)F)F