AG0020OD

175205-24-0 | Thiourea, N-[2-(trifluoromethoxy)phenyl]-

AG0020OD

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CAS Number	175205-24-0
Catalog Number	AG0020OD(AGN-PC-0QAR9S)
Chemical Name	Thiourea, N-[2-(trifluoromethoxy)phenyl]-
IUPAC Name	[2-(trifluoromethoxy)phenyl]thiourea
InChI	InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-4-2-1-3-5(6)13-7(12)15/h1-4H,(H3,12,13,15)
InChI Key	HYKOSRYWIURWQI-UHFFFAOYSA-N
MDL Number	MFCD00052991
Molecular Formula	C8H7F3N2OS
Molecular Weight	236.2142
SMILES	S=C(N)NC1=CC=CC=C1OC(F)(F)F
Synonyms	1-(2-(Trifluoromethoxy)phenyl)thiourea, 175205-24-0, [2-(trifluoromethoxy)phenyl]thiourea, 1-[2-(Trifluoromethoxy)phenyl]2-thiourea, AC1MBXBA, Maybridge4_003549, SCHEMBL5521725, CTK4D5669, DTXSID60369741, HYKOSRYWIURWQI-UHFFFAOYSA-N, 2-(Trifluoromethoxy)phenylthiourea, HMS1531B07, ZINC102765, KS-00003QE1, (2-Trifluoromethoxy-phenyl)-thiourea, 9132AA, ANW-58006, MFCD00052991, AKOS005202737, MS-9505, N-[2-(trifluoromethoxy)phenyl]thiourea, NE19378, AJ-11128, AK-60256, SC-48471, ZB003507, Thiourea,N-[2-(trifluoromethoxy)phenyl]-, ST2414934, TC-146751, Thiourea, N-[2-(trifluoromethoxy)phenyl]-, CS-0083340, 1-(2-(TRIFLUOROMETHOXY)PHENYL)-2-THIOUREA, BRD-K27386986-001-01-3, Z291279160, C8H7F3N2OS, ZINC00102765, CID2732749,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.023g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.212g/mol
Monoisotopic Mass	236.023g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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