4,4'-Dimercaptostilbene - CAS 614756-39-7

Catalog:	BB031131
Product Name:	4,4'-Dimercaptostilbene
CAS:	614756-39-7
Synonyms:	4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol

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Computed Properties

IUPAC Name:	4-[(E)-2-(4-sulfanylphenyl)ethenyl]benzenethiol
Description:	4,4'-Dimercaptostilbene (CAS# 614756-39-7 ) is a useful research chemical.
Molecular Weight:	244.38
Molecular Formula:	C14H12S2
Canonical SMILES:	C1=CC(=CC=C1C=CC2=CC=C(C=C2)S)S
InChI:	InChI=1S/C14H12S2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,15-16H/b2-1+
InChI Key:	FOYJDMJLWTYTCC-OWOJBTEDSA-N
Purity:	> 96 %
MDL:	MFCD11656169
LogP:	4.43440

Publication Number	Title	Priority Date
WO-2019183140-A1	Tough, healable composites displaying stress relaxation at the resin-filler interface	20180319
US-2021002469-A1	Tough, healable composites displaying stress relaxation at the resin-filler interface	20180319
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WO-2019164841-A1	Covalent treatment with thiols of keratin-containing materials	20180220
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Precautionary Statement:	P273-P301+P312+P330
Signal Word:	Warning

Complexity:	197
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	244.03804273
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	244.03804273
Rotatable Bond Count:	2
Topological Polar Surface Area:	2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5