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158871-28-4,MFCD01142888
Catalog No.:AA001QW8

158871-28-4 | 4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-one

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Purity
Availability
Price(USD)
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250mg
>98.0%(HPLC)(N)
2 weeks  
$375.00   $263.00
- +
1g
98.0%
2 weeks  
$775.00   $543.00
- +
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA001QW8
Chemical Name:
4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-one
CAS Number:
158871-28-4
Molecular Formula:
C9H8N2OS4
Molecular Weight:
288.4326
MDL Number:
MFCD01142888
SMILES:
N#CCCSc1sc(=O)sc1SCCC#N
Properties
Computed Properties
 
Complexity:
364  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Rotatable Bond Count:
6  
XLogP3:
2.2  

Literature

Title: 3-(2-Thioxo-1,3-dithiol-4-ylsulfan-yl)-propane-nitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

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Tags:158871-28-4 Molecular Formula|158871-28-4 MDL|158871-28-4 SMILES|158871-28-4 4,5-Bis(2-cyanoethylthio)-1,3-dithiol-2-one