Biphenyl-4,4'-dithiol - CAS 6954-27-4

Catalog:	BB033864
Product Name:	Biphenyl-4,4'-dithiol
CAS:	6954-27-4
Synonyms:	4-(4-sulfanylphenyl)benzenethiol

Technical Data

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Computed Properties

IUPAC Name:	4-(4-sulfanylphenyl)benzenethiol
Description:	Biphenyl-4,4'-dithiol (CAS# 6954-27-4) is a useful research chemical.
Molecular Weight:	218.34
Molecular Formula:	C12H10S2
Canonical SMILES:	C1=CC(=CC=C1C2=CC=C(C=C2)S)S
InChI:	InChI=1S/C12H10S2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H
InChI Key:	VRPKUXAKHIINGG-UHFFFAOYSA-N
Boiling Point:	366.4 °C at 760 mmHg
Melting Point:	165-174 °C
Purity:	> 98.0 % (LC)
Density:	1.213 g/cm³
Appearance:	White to tan solid, powder, crystals, crystalline powder and/or chunks
Storage:	-20 °C
MDL:	MFCD00046826
LogP:	3.93100

Publication Number	Title	Priority Date
CN-111875964-A	High-temperature-resistant conductive wave-absorbing sealing material	20200816
KR-102219587-B1	Eco-friendly adhesive coating using intermediates for structural adhesives	20200526
CN-111592004-A	Preparation method of silicon dioxide aerogel and silicon dioxide aerogel	20200525
CN-111551534-A	Kit based on surface enhanced Raman probe, application thereof and imaging method	20200518
US-2021317255-A1	Polymerizable composition for optical materials and method for producing the same, method for producing transparent resin, and method for producing lens base material	20200413

PMID	Publication Date	Title	Journal
22117780	20111125	'Soft and rigid' dithiols and Au nanoparticles grafting on plasma-treated polyethyleneterephthalate	Nanoscale research letters
21711893	20110428	Polytetrafluorethylene-Au as a substrate for surface-enhanced Raman spectroscopy	Nanoscale research letters
16079841	20050804	Measurement of the conductance of single conjugated molecules	Nature
12757731	20030612	Helical templating of oligopeptides by cyclodextrin dimers	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P273, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	145
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.02239267
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	218.02239267
Rotatable Bond Count:	1
Topological Polar Surface Area:	2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.6