(2,6-Difluorophenyl)thiourea - CAS 59772-31-5

Name: (2,6-Difluorophenyl)thiourea
Brand: BOC Sciences
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Catalog:	BB030493
Product Name:	(2,6-Difluorophenyl)thiourea
CAS:	59772-31-5
Synonyms:	(2,6-difluorophenyl)thiourea

Technical Data

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Computed Properties

IUPAC Name:	(2,6-difluorophenyl)thiourea
Description:	(2,6-Difluorophenyl)thiourea (CAS# 59772-31-5) is used in the preparation of anti-tubercular agents.
Molecular Weight:	188.20
Molecular Formula:	C7H6F2N2S
Canonical SMILES:	C1=CC(=C(C(=C1)F)NC(=S)N)F
InChI:	InChI=1S/C7H6F2N2S/c8-4-2-1-3-5(9)6(4)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key:	AWPKXPUZILRUDJ-UHFFFAOYSA-N
Boiling Point:	240.4 °C at 760 mmHg
Density:	1.493 g/cm³
MDL:	MFCD05022144
LogP:	2.41400

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[151585-93-2]C7H6FNO
2-Amino-6-fluorobenzaldehyde
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[1170836-29-9]C12H12F3N5
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1597-32-6]C5H5FN2
2-Amino-6-fluoropyridine
[13566-71-7]C10H8N2O2
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[4318-56-3]C5H5ClN2O2
6-Chloro 3-Methyl Uracil

Sulfur Compounds

[123-43-3]C2H4O5S
Sulfoacetic acid
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]C14H14O2S
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[72799-34-9]C11H12N2O2S
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[42729-26-0]C8H4F3NS2
3-(Trifluoromethylthio)phenyl isothiocyanate
[832739-83-0]C13H12ClNO3S
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021166952-A1	Method for producing polythioether compound	20200219
US-2020102228-A1	METHODS OF DEGRADING ORGANIC POLLUTANTS AND PREVENTING OR TREATING MICROBE USING Bi2S3-CdS PARTICLES	20180927
US-10934176-B2	Methods of degrading organic pollutants and preventing or treating microbe using Bi2S3-CdS particles	20180927
US-2021061670-A1	Method for preventing or reducing growth of a microorganism on a surface	20180927
US-10105687-B1	Heterostructured Bi2S3â€"ZnS photocatalysts and methods thereof	20170824

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.02197570
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	188.02197570
Rotatable Bond Count:	1
Topological Polar Surface Area:	70.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7