AG007718

121307-79-7 | 2(1H)-Pyridinethione, 4-(trifluoromethyl)-

AG007718

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CAS Number	121307-79-7
Catalog Number	AG007718(AGN-PC-0NL4OZ)
Chemical Name	2(1H)-Pyridinethione, 4-(trifluoromethyl)-
IUPAC Name	4-(trifluoromethyl)-1H-pyridine-2-thione
InChI	InChI=1S/C6H4F3NS/c7-6(8,9)4-1-2-10-5(11)3-4/h1-3H,(H,10,11)
InChI Key	SFLBZVBGZANGDN-UHFFFAOYSA-N
MDL Number	MFCD09881227
Molecular Formula	C6H4F3NS
Molecular Weight	179.1629
SMILES	SC1=NC=CC(C(F)(F)F)=C1
Synonyms	4-(Trifluoromethyl)pyridine-2-thiol, 121307-79-7, 4-(Trifluoromethyl)pyridine-2(1H)-thione, 2-Mercapto-4-(trifluoromethyl)pyridine, 2(1H)-Pyridinethione, 4-(trifluoromethyl)-, 4-(trifluoromethyl)-2-pyridinethiol, ACMC-20ez69, SCHEMBL4397763, CTK0F8447, CTK8A8500, DTXSID20579228, SFLBZVBGZANGDN-UHFFFAOYSA-N, KS-00003QR9, 2-Mercapto-4-trifluoromethylpyridine, 1111AD, MFCD09881227, SBB089521, ZINC26460027, AKOS006230322, AKOS009529029, 2-Mercapto-4-(trifluoromethyl)pryidine, PS-6367, 4-trifluoromethylpyridine-2(1h)-thione, K-1518, 4-(TRIFLUOROMETHYL)-1H-PYRIDINE-2-THIONE, Z2568758016, C6H4F3NS, N/A,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.002g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.16g/mol
Monoisotopic Mass	179.002g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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