AG003IB8

369-68-6 | 3-(Trifluoromethylthio)aniline

AG003IB8

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CAS Number	369-68-6
Catalog Number	AG003IB8(AGN-PC-0KK7GI)
Chemical Name	3-(Trifluoromethylthio)aniline
EC Number	206-722-4
IUPAC Name	3-(trifluoromethylsulfanyl)aniline
InChI	InChI=1S/C7H6F3NS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H,11H2
InChI Key	DENPAKQJZNDKEL-UHFFFAOYSA-N
MDL Number	MFCD00190130
Molecular Formula	C7H6F3NS
Molecular Weight	193.1894
SMILES	NC1=CC=CC(SC(F)(F)F)=C1
Synonyms	3-(TRIFLUOROMETHYLTHIO)ANILINE, 369-68-6, 3-[(trifluoromethyl)sulfanyl]aniline, 3-Aminophenyl trifluoromethyl sulphide, 3-Aminophenyl trifluoromethyl sulfide, 3-((Trifluoromethyl)thio)aniline, 3-(trifluoromethylsulfanyl)aniline, Benzeneamine, 3-[(trifluoromethyl)thio]-, MFCD00190130, Benzenamine, 3-[(trifluoromethyl)thio]-, 3-(trifluoromethylthio)phenylamine, Benzeneamine, 3-((trifluoromethyl)thio)-, EINECS 206-722-4, PubChem8443, ACMC-1CJOM, AC1MC4GG, SCHEMBL656796, 3-(trifluoromethylthio) aniline, DTXSID9073171, CTK4H7486, DENPAKQJZNDKEL-UHFFFAOYSA-N, 3-Aminophenyltrifluoromethylsulphide, ACT00173, KS-00003SG0, ZINC2556422, ANW-47134, BBL102674, RW1203, SBB091565, STL556478, 3-[(Trifluoromethyl)sulphanyl]aniline, AKOS005254400, AS04598, CM11536, LS10209, MCULE-8854807729, VZ26342, Benzenamine,3-[(trifluoromethyl)thio]-, AJ-39894, AN-44591, BR-45012, SC-78488, TS-00269, DB-006348, ST2417430, TR-015072, FT-0613961, ST50825346, W5813, S-4900, A823487, I14-29578, C7H6F3NS, 3- ANILINE, 3-[(trifluoromethyl)thio]aniline, C7-H6-F3-N-S, ZINC02556422, CID2735939, Benzenamine, 3-((trifluoromethyl)thio)-, 3-(Trifluoromethylthio)aniline, 96% 1g,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.017g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.187g/mol
Monoisotopic Mass	193.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H311-H315-H319-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P309-P310
UN Code	UN 2811

Certificate of Analysis

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