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1,1′,4′,1′′-Terphenyl-4-thiol - 97%, high purity , CAS No.90589-98-3

COA

Grade & Purity:

≥97%

Cas Number: 90589-98-3
Molecular Weight: 262.37
MDL number: MFCD09864743
PubChem CID: 45925731

In stock

Item Number

T469834

Grouped product items
SKU	Size	Availability	Price	Qty
T469834-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$761.90

Basic Description

Synonyms	DTXSID60672621 \| 1,1',4',1''-TERPHENYL-4-THIOL \| FT-0676072 \| SCHEMBL966905 \| 4-{[1,1'-biphenyl]-4-yl}benzene-1-thiol \| [1~1~,2~1~:2~4~,3~1~-Terphenyl]-1~4~-thiol \| 4-terphenylthiol \| [1,1':4',1''-Terphenyl]-4-thiol \| 4-(4-PHENYLPHENYL)BENZENETHIOL \| MFCD
Specifications & Purity	≥97%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads 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 Terphenyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Terphenyls
Intermediate Tree Nodes	Not available
Direct Parent	P-terphenyls
Alternative Parents	Biphenyls and derivatives Thiophenols Thiols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para-terphenyl - Biphenyl - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as p-terphenyls. These are terphenyls with a structure containing the 1,4-diphenylbenzene skeleton.
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	4-(4-phenylphenyl)benzenethiol
INCHI	InChI=1S/C18H14S/c19-18-12-10-17(11-13-18)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,19H
InChIKey	KDECGGARTQDFEI-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S
Isomeric SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)S
PubChem CID	45925731
UN Number	3077
Molecular Weight	262.37

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	Not applicable
Flash Point(°C)	Not applicable
Melt Point(°C)	246-252℃
Molecular Weight	262.400 g/mol
XLogP3	5.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	262.082 Da
Monoisotopic Mass	262.082 Da
Topological Polar Surface Area	1.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	253.000
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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