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2，5-DIFLUOROPHENYLTHIOUREA - ≥97%, high purity , CAS No.207981-44-0

COA

Grade & Purity:

≥97%

Cas Number: 207981-44-0
Molecular Weight: 188.2
MDL number: MFCD00041152
PubChem CID: 2774223

In stock

Item Number

D770020

Grouped product items
SKU	Size	Availability	Price
D770020-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
D770020-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$302.90
D770020-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$549.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Room temperature,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass N-phenylthioureas

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	N-phenylthioureas
Intermediate Tree Nodes	Not available
Direct Parent	N-phenylthioureas
Alternative Parents	Fluorobenzenes Aryl fluorides Thioureas Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-phenylthiourea - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Thiourea - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as n-phenylthioureas. These are compounds containing a N-phenylthiourea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a thiourea group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2,5-difluorophenyl)thiourea
INCHI	InChI=1S/C7H6F2N2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKey	JBWSNSWRTOFDBM-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)NC(=S)N)F
Isomeric SMILES	C1=CC(=C(C=C1F)NC(=S)N)F
WGK Germany	3
PubChem CID	2774223
Molecular Weight	188.2

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	188.200 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	188.022 Da
Monoisotopic Mass	188.022 Da
Topological Polar Surface Area	70.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	177.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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