AG00EFMR

64415-07-2 | 7-TRIFLUOROMETHYL-4-QUINOLINETHIOL

AG00EFMR

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CAS Number	64415-07-2
Catalog Number	AG00EFMR(AGN-PC-0OEQON)
Chemical Name	7-TRIFLUOROMETHYL-4-QUINOLINETHIOL
EC Number	264-875-2
IUPAC Name	7-(trifluoromethyl)-1H-quinoline-4-thione
InChI	InChI=1S/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
InChI Key	DBWDEWRMEKXOFI-UHFFFAOYSA-N
MDL Number	MFCD00006780
Molecular Formula	C10H6F3NS
Molecular Weight	229.2215
SMILES	SC1=CC=NC2=CC(C(F)(F)F)=CC=C12
Synonyms	7-(Trifluoromethyl)quinoline-4-thiol, 64415-07-2, 7-Trifluoromethyl-4-quinolinethiol, 7-(trifluoromethyl)-1H-quinoline-4-thione, 4-Quinolinethiol, 7-(trifluoromethyl)-, DBWDEWRMEKXOFI-UHFFFAOYSA-N, 7-(trifluoromethyl)-4-quinolinethiol, EINECS 264-875-2, AC1LEL7E, SCHEMBL2201230, SCHEMBL10750364, CTK5C1214, DBWDEWRMEKXOFI-UHFFFAOYSA-, ZINC56490, 7-Trifluoromethyl-4quinoline-thiol, 7-trifluoromethyl-quinoline-4-thiol, ALBB-014503, ZX-AN013228, 7-Trifluoromethyl-4-quinoline-thiol, 7331AE, MFCD00006780, AKOS002684254, AKOS005174707, 4-Quinolinethiol,7-(trifluoromethyl)-, MCULE-6233851531, 181950-70-9, CC-23279, DB-054656, 7-(Trifluoromethyl)quinoline-4-thiol, 95%, CS-0063833, FT-0640941, R1155, ST51038018, AI-204/31700009, C-30801, I08-873, InChI=1/C10H6F3NS/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15), C10H6F3NS, C10-H6-F3-N-S, CID688041, ZINC00056490,

Complexity	298
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.017g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.22g/mol
Monoisotopic Mass	229.017g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	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

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