4,4'-Bis(mercaptomethyl)biphenyl - CAS 43012-19-7

Catalog:	BB025302
Product Name:	4,4'-Bis(mercaptomethyl)biphenyl
CAS:	43012-19-7
Synonyms:	[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol

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Computed Properties

IUPAC Name:	[4-[4-(sulfanylmethyl)phenyl]phenyl]methanethiol
Description:	4,4'-Bis(mercaptomethyl)biphenyl (CAS# 43012-19-7 ) is a useful research chemical.
Molecular Weight:	246.39
Molecular Formula:	C14H14S2
Canonical SMILES:	C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS
InChI:	InChI=1S/C14H14S2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChI Key:	XFHIDPOTWOFDEM-UHFFFAOYSA-N
Purity:	97 %
Storage:	Keep cold.
MDL:	MFCD15143659
LogP:	4.21320

Publication Number	Title	Priority Date
US-2021284778-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311
US-2021284806-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311
WO-2021181307-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311
WO-2021181341-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311
JP-2020102645-A	Semiconductor device and manufacturing method thereof	20200306

PMID	Publication Date	Title	Journal
18580981	20080714	Host-guest interactions in a series of self-assembled As2L2Cl2 macrocycles	Dalton transactions (Cambridge, England : 2003)
16966822	20060901	Application of the nanogold-4,4'-bis(methanethiol)biphenyl modified gold electrode to the determination of tyrosinase-catechol reaction kinetics in acetonitrile	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P273-P305+P351+P338
Signal Word:	Warning

Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.05369279
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	246.05369279
Rotatable Bond Count:	3
Topological Polar Surface Area:	2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5