2,3-Difluorophenylthiourea

CAT: 0127-PC10573-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC10573-01Size:1 g

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CAS Number

572889-25-9

Synonyms

1- (2,3-Difluorophenyl) thiourea, 1,2-Difluoro-3-thioureidobenzene

MDL Number

MFCD07368705

Purity

97%

Smiles

NC(=S)Nc1cccc(F)c1F

Chemical Information

(2,3-Difluorophenyl)thiourea

CAS Number	572889-25-9
PubChem CID	2783290
IUPAC Name	(2,3-difluorophenyl)thiourea
Molecular Formula	C7H6F2N2S
Molecular Weight	188.20
XLogP	1.3
Topological Polar Surface Area	70.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	177

SMILES

C1=CC(=C(C(=C1)F)F)NC(=S)N

InChI

InChI=1S/C7H6F2N2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)

InChIKey

UUQZTECZSCPOLX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 572889-25-9

CID: 2783290

Formula: C7H6F2N2S

MW: 188.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.20
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	188.02197570
Monoisotopic Mass	188.02197570
Topological Polar Surface Area	70.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC10576-01	3,5-Difluorophenylthiourea
PC10574	2,6-Difluorophenylthiourea
PC450310	2,2,3,3,3-Pentafluoropropyl 2,2,3,3-tetrafluoropropyl carbonate
PC5786	2,2,3,3,3-Pentafluoropropylamine
PC5605	2,2,3,3,3-Pentafluoropropiophenone
PC3683-01	2- (2,2,3,3,3-Pentafluoropropoxymethyl) oxirane
PC4969	2,2,3,3,3-Pentafluoropropyl-2'-fluoroacrylate
PC450297	2,2,3,3,3-Pentafluoropropyl 2,2,2-trifluoroethyl carbonate
PC250031-01	2,2,2-Trifluoroethyl 3,3,3-trifluoro-2-methylpropanoate
PC450298	2,2-Difluoroethyl 2,2,3,3,3-pentafluoropropyl carbonate

Catalog	Name
RGB59433	3,5-Difluorophenylthiourea
sc-260168	2,2,3,3,3-Pentafluoropropiophenone
sc-260169	2,2,3,3,3-Pentafluoropropylamine
sc-321959A	2,2,3,3,3-Pentafluoropropyltrifluoromethanesulfonate
021638	2,2,3,3-Tetramethoxybutane
378927	2,3,2'',3''-Tetrahydroochnaflavone
sc-321953A	2,2,3,3-Tetrafluorosuccinonitrile
FT66102-01	2,2',3,3'-Tetramethylazoxybenzene
RG-P022709-01	2,2,3,3-Tetramethylsuccinimidamide
sc-473699	2,2,3,3-Tetramethylsuccinimide