AG0033UC

461-84-7 | 4-((Trifluoromethyl)thio)phenol

AG0033UC

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CAS Number	461-84-7
Catalog Number	AG0033UC(AGN-PC-0L0GM8)
Chemical Name	4-((Trifluoromethyl)thio)phenol
IUPAC Name	4-(trifluoromethylsulfanyl)phenol
InChI	InChI=1S/C7H5F3OS/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H
InChI Key	YYCPTWHVKSATQK-UHFFFAOYSA-N
MDL Number	MFCD00036035
Molecular Formula	C7H5F3OS
Molecular Weight	194.1742
SMILES	FC(SC1=CC=C(C=C1)O)(F)F
Synonyms	4-(Trifluoromethylthio)phenol, 461-84-7, 4-((Trifluoromethyl)thio)phenol, 4-trifluoromethylsulfanyl-phenol, 4-(trifluoromethylsulfanyl)phenol, 4-[(trifluoromethyl)sulfanyl]phenol, 4-(trifluoromethylthio)hydroxybenzene, p-(trifluoromethylthio)phenol, 4-[(trifluoromethyl)thio]phenol, 4-[(Trifluoromethyl)sulphanyl]phenol, Phenol, 4-[(trifluoromethyl)thio]-, MFCD00036035, 4-Trifluoromethylmercaptophenol, PubChem10845, ACMC-1AGHY, AC1MXGC7, p-CF3SC6H4OH, KSC497O1R, SCHEMBL518852, p-(trifluoromethylthio)phenol;, (4-trifluoromethylthio)phenol;, 4-(trifluoromethylthio)phenol;, AC1Q78Y2, 4-trifluoromethylsulfanyl-phenol;, CTK3J7718, DTXSID90396803, YYCPTWHVKSATQK-UHFFFAOYSA-N, 4-(trifluoromethylsulfanyl)phenol;, ZINC164905, JRD-0776, KS-000009AZ, 4-(Trifluoromethylthio)phenol, 98%, ANW-30411, CT-617, EBD936333, SBB091706, 4-TRIFLUOROMETHYLSULFENYLPHENOL, 4-hydroxyphenyl trifluoromethylsulfide;, AKOS006220472, AM62333, CS-W015747, LS11658, MCULE-6207415978, PF10559, PS-8293, RP25298, RTC-062244, TRA0050010, AJ-16317, AN-24880, CJ-02248, SC-13357, SY014358, ZB008367, AB0010945, AB1007148, TC-062244, TL8003197, FT-0602468, ST24028721, ST50825356, MFCD00036035 (98%), 4-HYDROXYPHENYL TRIFLUOROMETHYL SULPHIDE, B-2324, 461T847, A826999, J-513948, Z276151196, null, C7H5F3OS, 4-(trifluoro methylthio)phenol, ZINC00164905, ACN-055855, CID3815158, T2458, 825-83-2,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.001g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.171g/mol
Monoisotopic Mass	194.001g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number