AG003BKK

572889-25-9 | (2,3-Difluorophenyl)thiourea

AG003BKK

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CAS Number	572889-25-9
Catalog Number	AG003BKK(AGN-PC-0KL291)
Chemical Name	(2,3-Difluorophenyl)thiourea
IUPAC Name	(2,3-difluorophenyl)thiourea
InChI	InChI=1S/C7H6F2N2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key	UUQZTECZSCPOLX-UHFFFAOYSA-N
MDL Number	MFCD07368705
Molecular Formula	C7H6F2N2S
Molecular Weight	188.1977
SMILES	S=C(N)NC1=CC=CC(F)=C1F
Synonyms	(2,3-Difluorophenyl)thiourea, 572889-25-9, 1-(2,3-Difluorophenyl)-2-thiourea, 2,3-difluorophenylthiourea, 1-(2,3-Difluorophenyl)thiourea, ACMC-20apqc, AC1MD472, SCHEMBL5464387, (2,3-Difluoro-phenyl)-thiourea, CTK7D3969, DTXSID10382561, N-(2,3-Difluorophenyl)-thiourea, MFCD07368705, SBB090768, ZINC16125756, (2,3-Difluorophenyl)thiourea, 97%, AKOS009158025, NE22797, PS-9797, SC-64682, RT-017686, amino[(2,3-difluorophenyl)amino]methane-1-thione, J-522802, CID2783290,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.022g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	188.196g/mol
Monoisotopic Mass	188.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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