Cas no 61405-41-2 (Benzene, 1-(phenylthio)-2-(trifluoromethyl)-)
61405-41-2 structure
Product Name:Benzene, 1-(phenylthio)-2-(trifluoromethyl)-
CAS No:61405-41-2
MF:C13H9F3S
MW:254.270772695541
CID:480626
PubChem ID:42642737
Update Time:2025-04-19
Benzene, 1-(phenylthio)-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(phenylthio)-2-(trifluoromethyl)-
- 1-phenylsulfanyl-2-(trifluoromethyl)benzene
- 1-(Phenylsulfanyl)-2-(trifluoromethyl)benzene
- 61405-41-2
- DTXSID20655314
- 2-Trifluoromethylphenyl phenyl sulfide
-
- Inchi： 1S/C13H9F3S/c14-13(15,16)11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-9H
- InChI Key： NLRHTCIGUKJJKL-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1)C1C=CC=CC=1C(F)(F)F
Computed Properties
- Exact Mass: 254.03777
- Monoisotopic Mass: 254.03770595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-(phenylthio)-2-(trifluoromethyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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