Cas no 798569-90-1 (Benzenethiol, 2,4-bis(trifluoromethyl)-)
798569-90-1 structure
Product Name:Benzenethiol, 2,4-bis(trifluoromethyl)-
CAS No:798569-90-1
MF:C8H4F6S
MW:246.172781944275
CID:531621
PubChem ID:59713042
Update Time:2025-04-19
Benzenethiol, 2,4-bis(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenethiol, 2,4-bis(trifluoromethyl)-
- 2,4-bis(trifluoromethyl)benzenethiol
- 2,4-Bis(trifluoromethyl)benzene-1-thiol
- MJZJURYIHAUMBE-UHFFFAOYSA-N
- DTXSID30732721
- SCHEMBL3962902
- 798569-90-1
-
- Inchi： 1S/C8H4F6S/c9-7(10,11)4-1-2-6(15)5(3-4)8(12,13)14/h1-3,15H
- InChI Key： MJZJURYIHAUMBE-UHFFFAOYSA-N
- SMILES： SC1=CC=C(C(F)(F)F)C=C1C(F)(F)F
Computed Properties
- Exact Mass: 245.99379027g/mol
- Monoisotopic Mass: 245.99379027g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 3.8
- Topological Polar Surface Area: 1?2
Benzenethiol, 2,4-bis(trifluoromethyl)- Related Literature
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
798569-90-1 (Benzenethiol, 2,4-bis(trifluoromethyl)-) Related Products
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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