CAS No.86180-54-3,1,2-Bis(2-cyanoethylthio)ethane Suppliers

Products Categories

Organic Chemicals (8)
Pharmaceutical (5)
Others (1)

Basic Information

Molecular Structure:
CAS No.:	86180-54-3
Name:	1,2-Bis(2-cyanoethylthio)ethane
Article Data:	9

Formula:	C₈H₁₂N₂S₂
Molecular Weight:	200.329
Synonyms:	3-03-00-00558 (Beilstein Handbook Reference);Propionitrile, beta,beta-(ethylenedithio)di-;3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile;3,3-(1,2-Ethanediylbis(thio))bispropanenitrile;Propanenitrile, 3,3-(1,2-ethanediylbis(thio))bis-;Propionitrile, 3,3-(ethylenedithio)di-;
Density:	1.142 g/cm³
Melting Point:	93 °C
Boiling Point:	424.3 °C at 760 mmHg
Flash Point:	210.4 °C
PSA:	98.18000
LogP:	2.28016

Country:
- China (Mainland)(13)
- United States(1)
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:11 Page 1 of 1 1

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 86180-54-3

Specification

The 1,2-Bis(2-cyanoethylthio)ethane is an organic compound with the formula C₈H₁₂N₂S₂. The systematic name of this chemical is 3,3'-(ethane-1,2-diyldisulfanediyl)dipropanenitrile. With the CAS registry number 86180-54-3, it is also named as 3,3'-(1,2-Ethanediylbis(thio))bispropanenitrile. The product's categories are Dinitriles; Dinitriles & Trinitriles.

Physical properties about 1,2-Bis(2-cyanoethylthio)ethane are: (1)ACD/LogP: 0.71; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.03; (5)ACD/BCF (pH 7.4): 2.03; (6)ACD/KOC (pH 5.5): 57.87; (7)ACD/KOC (pH 7.4): 57.87; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 98.18 Å²; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 54.93 cm³; (13)Molar Volume: 175.2 cm³; (14)Polarizability: 21.77×10^-24cm³; (15)Surface Tension: 50.9 dyne/cm; (16)Density: 1.142 g/cm³; (17)Flash Point: 210.4 °C; (18)Enthalpy of Vaporization: 67.87 kJ/mol; (19)Boiling Point: 424.3 °C at 760 mmHg; (20)Vapour Pressure: 2.09E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by ethane-1,2-dithiol and 3-bromo-propionitrile. This reaction is a kind of Alkylation. This reaction will need reagent Et₃N and solvent CH₂Cl₂. The reaction time is 4 hours with reaction temperature of 20 °C. The yield is about 88%.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCCSCCSCCC#N
(2)InChI: InChI=1/C8H12N2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
(3)InChIKey: SJYFOHJCZZEPNC-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H12N2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
(5)Std. InChIKey: SJYFOHJCZZEPNC-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD	oral	> 500mg/kg (500mg/kg)		National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 32, 1953.