AG0032LC

1060-92-0 | 1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea

AG0032LC

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CAS Number	1060-92-0
Catalog Number	AG0032LC(AGN-PC-0KLD40)
Chemical Name	1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea
IUPAC Name	1,3-bis[3,5-bis(trifluoromethyl)phenyl]thiourea
InChI	InChI=1S/C17H8F12N2S/c18-14(19,20)7-1-8(15(21,22)23)4-11(3-7)30-13(32)31-12-5-9(16(24,25)26)2-10(6-12)17(27,28)29/h1-6H,(H2,30,31,32)
InChI Key	RWXWQJYJWJNJNW-UHFFFAOYSA-N
MDL Number	MFCD00829878
Molecular Formula	C17H8F12N2S
Molecular Weight	500.3047
SMILES	FC(C=1C=C(C=C(C1)C(F)(F)F)NC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(F)F
Synonyms	1,3-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea, 1060-92-0, 1,3-bis(3,5-bis(trifluoromethyl)phenyl)thiourea, Schreiner's thiourea, AC1MD0GW, ACMC-2098ip, Thiourea, 1,3-bis(3,5-ditrifluoromethylphenyl)-, Schreiner's Thiourea Catalyst, SCHEMBL11009249, CTK0G3926, DTXSID20384410, RWXWQJYJWJNJNW-UHFFFAOYSA-N, KS-000015FK, ANW-15311, MFCD00829878, ZINC95742748, AKOS026671284, MCULE-3873930940, TC-104056, B3452, I09-3015, N,N'-Bis[3,5-bis(trifluoromethyl)phenyl]thiourea #, Thiourea, N,N'-bis[3,5-bis(trifluoromethyl)phenyl]-, Carbanilide, thio-3,3',5,5'-tetrakis-(trifluoromethyl)-, CID2803772,

Complexity	556
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	500.022g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	500.306g/mol
Monoisotopic Mass	500.022g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	56.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P280-P305+P351+P338-P337+P313
UN Code

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