3,6-Dithia-1,8-octanediol - CAS 5244-34-8

Catalog:	BB027829
Product Name:	3,6-Dithia-1,8-octanediol
CAS:	5244-34-8
Synonyms:	2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-[2-(2-hydroxyethylsulfanyl)ethylsulfanyl]ethanol
Description:	3,6-Dithia-1,8-octanediol (CAS# 5244-34-8) is a useful research chemical.
Molecular Weight:	182.30
Molecular Formula:	C6H14O2S2
Canonical SMILES:	C(CSCCSCCO)O
InChI:	InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI Key:	PDHFSBXFZGYBIP-UHFFFAOYSA-N
Boiling Point:	170 °C (0.5 mmHg)
Density:	1.211 g/cm³
MDL:	MFCD00002911
LogP:	0.43740

Publication Number	Title	Priority Date
US-2021187922-A1	Free radical polymerizable adhesion-promoting interlayer compositions and methods of use	20191219
US-2021189206-A1	Adhesion-promoting interlayer compositions containing organic titanates/zirconates and methods of use	20191219
WO-2021127289-A1	Adhesion-promoting compositions containing organic titanates/zirconates and methods of use	20191219
WO-2021127292-A2	Free radical polymerizable adhesion-promoting interlayer compositions and methods of use	20191219
US-2021186935-A1	Rapamycin analogs and uses thereof	20191205

PMID	Publication Date	Title	Journal
19214483	20090401	Screening hydrolysis products of sulfur mustard agents by high-performance liquid chromatography with inductively coupled plasma mass spectrometry detection	Analytical and bioanalytical chemistry

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Related Functional Groups

Sulfur Compounds

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[6633-90-5]
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[71996-48-0]
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[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[874-87-3]
4-(Methylthio)benzyl chloride

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GHS Hazard Statement:	H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]
Precautionary Statement:	P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P312, P321, P322, P333+P313, P337+P313, P363, P391, and P501
Signal Word:	Warning

Complexity:	53.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.04352203
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	182.04352203
Rotatable Bond Count:	7
Topological Polar Surface Area:	91.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0