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3-Trifluoromethoxyphenylthiourea - ≥97%, high purity , CAS No.235101-42-5

COA

Grade & Purity:

≥97%

Cas Number: 235101-42-5
Molecular Weight: 236.21
PubChem CID: 10585869

In stock

Item Number

T768311

Grouped product items
SKU	Size	Availability	Price
T768311-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$424.90
T768311-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$888.90
T768311-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,798.90
T768311-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$5,403.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Phenoxy compounds Phenol ethers Trihalomethanes Thioureas Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	N-phenylthiourea - Phenoxy compound - Phenol ether - Trihalomethane - Thiourea - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - 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	[3-(trifluoromethoxy)phenyl]thiourea
INCHI	InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-2-5(4-6)13-7(12)15/h1-4H,(H3,12,13,15)
InChIKey	NUKZFXJCTVTPSO-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)OC(F)(F)F)NC(=S)N
Isomeric SMILES	C1=CC(=CC(=C1)OC(F)(F)F)NC(=S)N
PubChem CID	10585869
Molecular Weight	236.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	236.220 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	236.023 Da
Monoisotopic Mass	236.023 Da
Topological Polar Surface Area	79.400 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	234.000
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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