CAS 5244-34-8|2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethanol|3,6-Dithia-1,8-octane-1,8-diol|2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethan-1-ol|1,2-Bis(2-hydroxyethylmercapto)ethane|2,2...

General Information

Structure

Molecular Formula

C₆H₁₄O₂S₂

Molecular Mass

182.30416

Exact Mass

182.04352169

Charge

InChI

InChI=1S/C6H14O2S2/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

InChIKey

PDHFSBXFZGYBIP-UHFFFAOYSA-N

Canonic Smiles

OCCSCCSCCO

Isomeric Smiles

OCCSCCSCCO

Calculated Properties

JChem

Acid pKa

15.245379

H Acceptors

H Donor

LogD (pH = 5.5)

-0.14331166

LogD (pH = 7.4)

-0.14331166

Log P

-0.14331166

Molar Refractivity

49.2118

Polarizability

19.158655

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethanol

IUPAC name

2-({2-[(2-hydroxyethyl)sulfanyl]ethyl}sulfanyl)ethan-1-ol

Synonyms

1,2-Bis(2-hydroxyethylmercapto)ethane3,6-Dithia-1,8-octane-1,8-diol3,6-二硫杂-1,8-辛二醇Lindlar 催化毒化剂Lindlar Catalyst Poison3,6-Dithia-1,8-octanediol2,2′-(Ethylenedithio)diethanol2,2′-(乙烯二硫代)二乙醇1,8-Dihydroxy-3,6-dithiaoctane3,6-Dithiaoctane-1,8-diolLindlar Catalyst Poison2,2'-(乙烯二硫代)二乙醇3,6-二硫杂-1,8-辛二醇1,2-Bis(2-hydroxyethylthio)ethaneLindlar 催化毒化剂3,6-Dithiaoctane-1,8-diol

Names and Identifiers

Registration numbers

PubChem SID

248939371620762282488219624854098

CAS Number

EC Number

MDL Number

Beilstein Number