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

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

Technical Data

Safety and Hazards

Patents

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

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

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Sulfur Compounds

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

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