AG0020OC

175205-26-2 | 1-(2,3,4-Trifluorophenyl)thiourea

AG0020OC

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CAS Number	175205-26-2
Catalog Number	AG0020OC(AGN-PC-0KKYLA)
Chemical Name	1-(2,3,4-Trifluorophenyl)thiourea
IUPAC Name	(2,3,4-trifluorophenyl)thiourea
InChI	InChI=1S/C7H5F3N2S/c8-3-1-2-4(12-7(11)13)6(10)5(3)9/h1-2H,(H3,11,12,13)
InChI Key	OVJUYOKLFOWYFO-UHFFFAOYSA-N
MDL Number	MFCD00053006
Molecular Formula	C7H5F3N2S
Molecular Weight	206.1882
SMILES	S=C(N)NC1=CC=C(F)C(F)=C1F
Synonyms	175205-26-2, (2,3,4-trifluorophenyl)thiourea, N-(2,3,4-trifluorophenyl)thiourea, 2,3,4-Trifluorophenylthiourea, 1-(2,3,4-Trifluorophenyl)thiourea, Thiourea,N-(2,3,4-trifluorophenyl)-, amino[(2,3,4-trifluorophenyl)amino]methane-1-thione, AC1MCS8W, Maybridge1_007320, MLS000861869, SCHEMBL142976, 2,3,4-trifluorophenyl thiourea, CHEMBL1898664, SCHEMBL10783719, CTK4D5670, HMS562E16, DTXSID60380739, HMS2790J04, MFCD00053006, SBB055417, ZINC13659124, AKOS009155070, CCG-252076, MCULE-9565404727, Thiourea, N-(2,3,4-trifluorophenyl)-, SMR000460653, 1-[2,3,4-tris(fluoranyl)phenyl]thiourea, DB-065050, FT-0609390, ST50949952, V3812, 1-(Carbamothioylamino)-2,3,4-trifluorobenzene, A811935, I14-101694, C7H5F3N2S, ZINC00102981, CID2777971,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.013g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	206.186g/mol
Monoisotopic Mass	206.013g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P310-P330-P405-P501
UN Code	UN 2811

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