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86180-54-3,MFCD00475273
Catalog No.:AA003I8R
86180-54-3 | 1,2-Bis(2-cyanoethylthio)ethane
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Purity
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1g
>97.0%(GC)
1 week  
$178.00   $124.00
- +
5g
>97.0%(GC)
1 week  
$486.00   $340.00
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Technical Information
Catalog Number:
AA003I8R
Chemical Name:
1,2-Bis(2-cyanoethylthio)ethane
CAS Number:
86180-54-3
MDL Number:
MFCD00475273
IUPAC Name:
3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile
InChI:
InChI=1S/C8H12N2S2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
InChI Key:
SJYFOHJCZZEPNC-UHFFFAOYSA-N
NSC Number:
215744
Properties
Computed Properties
 
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.318g/mol
Monoisotopic Mass:
200.044g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
1,2-Bis(2-cyanoethylthio)ethane 
86180-54-3 
NSC215744 
AC1Q4SHA 
4,7-Dithiadecanedinitrile 
ACMC-209q8u 
AC1L40TN 
3-03-00-00558 (Beilstein Handbook Reference) 
SCHEMBL2991686 
CTK3E9878 
DTXSID00235436 
1,2-Bis(2-cyanoethyl thio)ethane 
3,3'-(Ethylenedithio)dipropionitrile 
ZINC1753097 
ANW-38284 
MFCD00475273 
AKOS015836387 
NSC-215744 
AN-35617 
CJ-29658 
LS-120867 
TR-026866 
E0673 
BRN 1760850 
FT-0693880 
180B543 
3-[[2-(2-Cyanoethylthio)ethyl]thio]propionitrile 
3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propionitrile 
3,3'-(ethane-1,2-diylbis(sulfanediyl))dipropanenitrile 
3-({2-[(2-cyanoethyl)sulfanyl]ethyl}sulfanyl)propanenitrile 
1,2-BIS ETHANE 
CID99335 
AR-1L2211 
C8-H12-N2-S2 
Propanenitrile, 3,3'-(1,2-ethanediylbis(thio))bis- 
92544-22-4 
Propionitrile, 3,3'-(ethylenedithio)di- 
Propionitrile, beta,beta'-(ethylenedithio)di- 
3,3'-(1,2-Ethanediylbis(thio))bispropanenitrile 
propanenitrile, 3,3'-[1,2-ethanediylbis(thio)]bis- 
3-[2-(2-cyanoethylsulfanyl)ethylsulfanyl]propanenitrile 
Literature
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