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590353-10-9,MFCD03945673
Catalog No.:AA00EA1C

590353-10-9 | 4-Allyl-5-(2-cyclohexylethyl)-4h-1,2,4-triazole-3-thiol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$172.00   $120.00
- +
5g
95%
in stock  
$685.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EA1C
Chemical Name:
4-Allyl-5-(2-cyclohexylethyl)-4h-1,2,4-triazole-3-thiol
CAS Number:
590353-10-9
Molecular Formula:
C13H21N3S
Molecular Weight:
251.3909
MDL Number:
MFCD03945673
SMILES:
C=CCn1c(CCC2CCCCC2)nnc1S
Properties
Computed Properties
 
Complexity:
319  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.7  

Downstream Synthesis Route

[1]Gobis,Katarzyna;Foks,Henryk;Bojanowski,Krzysztof;Augustynowicz-Kopeć,Ewa;Napiórkowska,Agnieszka[BioorganicandMedicinalChemistry,2012,vol.20,#1,p.137-144]

Literature

Title: Synthesis of novel 3-cyclohexylpropanoic acid-derived nitrogen heterocyclic compounds and their evaluation for tuberculostatic activity.

Journal: Bioorganic & medicinal chemistry 20120101

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SDS
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Tags:590353-10-9 Molecular Formula|590353-10-9 MDL|590353-10-9 SMILES|590353-10-9 4-Allyl-5-(2-cyclohexylethyl)-4h-1,2,4-triazole-3-thiol