The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
4,4'-Biphenyldithiol - >98.0%(HPLC), high purity , CAS No.6954-27-4
Basic Description
Synonyms
Q27116019 | EINECS 230-136-8 | 4,4'-Biphenyldithiol | biphenyl-4,4'-dithiol | NSC38039 | NSC-38039 | 4,4'-Biphenylldithiol | (1,1'-Biphenyl)-4,4'-dithiol | B2285 | VRPKUXAKHIINGG-UHFFFAOYSA-N | 4,4'-Thiobiphenyl | DTXSID60219797 | Biphenyl-4,4'-dithiol, 9
Specifications & Purity
≥98%(HPLC)
Storage Temp
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Thiophenols Thiols Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenyl - Thiophenol - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
dithiol - biphenyls
Data sources
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.
Names and Identifiers
Pubchem Sid
488185959
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488185959
IUPAC Name
4-(4-sulfanylphenyl)benzenethiol
INCHI
InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChIKey
VRPKUXAKHIINGG-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=CC=C(C=C2)S)S
Isomeric SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)S)S
WGK Germany
3
Molecular Weight
218.33
Beilstein
6(4)6655
Reaxy-Rn
2086977
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086977&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air Sensitive
Melt Point(°C)
183 °C
Molecular Weight
218.300 g/mol
XLogP3
4.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
218.022 Da
Monoisotopic Mass
218.022 Da
Topological Polar Surface Area
2.000 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
145.000
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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
E2315169