1,16-Hexadecanedithiol - CAS 79028-45-8

Catalog:	BB036273
Product Name:	1,16-Hexadecanedithiol
CAS:	79028-45-8
Synonyms:	hexadecane-1,16-dithiol

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Computed Properties

IUPAC Name:	hexadecane-1,16-dithiol
Description:	1,16-Hexadecanedithiol (CAS# 79028-45-8) is a useful research chemical compound.
Molecular Weight:	290.57
Molecular Formula:	C16H34S2
Canonical SMILES:	C(CCCCCCCCS)CCCCCCCS
InChI:	InChI=1S/C16H34S2/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18/h17-18H,1-16H2
InChI Key:	JSRUFBZERGYUAT-UHFFFAOYSA-N
Flash Point:	> 110 °C(230.0 °F)
Purity:	99 %
Appearance:	White to off-white crystal to powder
Storage:	Keep cold.
MDL:	MFCD09836218
LogP:	6.30740

Publication Number	Title	Priority Date
CN-112592382-A	Resin, preparation method thereof and application thereof in preparation of head-tail cyclic peptide	20201127
CN-111958890-A	Diethynylbenzene tire release agent	20200810
CN-111958891-A	Polysilane type tyre isolating agent	20200810
KR-102219587-B1	Eco-friendly adhesive coating using intermediates for structural adhesives	20200526
JP-2020102645-A	Semiconductor device and manufacturing method thereof	20200306

PMID	Publication Date	Title	Journal
14750666	20040101	Gold-nanoparticle/organic linker films: self-assembly, electronic and structural characterisation, composition and vapour sensitivity	Faraday discussions

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.21019343
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	290.21019343
Rotatable Bond Count:	15
Topological Polar Surface Area:	2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.6