Home Other Building Blocks 4430-45-9
4430-45-9,MFCD00041139
Catalog No.:AA003TEA

4430-45-9 | OCTYL ISOTHIOCYANATE

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Purity
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1g
>98%(GC)
in stock  
$62.00   $44.00
- +
5g
>98.0%(GC)
in stock  
$66.00   $46.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003TEA
Chemical Name:
OCTYL ISOTHIOCYANATE
CAS Number:
4430-45-9
Molecular Formula:
C9H17NS
Molecular Weight:
171.3030
MDL Number:
MFCD00041139
SMILES:
CCCCCCCCN=C=S
Properties
Properties
 
BP:
245.4°C at 760 mmHg  
Form:
Liquid  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
117  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
5  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1973,vol.16,p.1402-1405

4430-45-9    146476-37-1   
C26H39N2PS 

[1]TetrahedronAsymmetry,2009,vol.20,p.2117-2120

[2]ChemicalCommunications,2011,vol.47,p.1491-1493

4430-45-9    66464-86-6   
5-(3-chlorobenzyl)-4-octyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 

[1]Plech,Tomasz;Kaproń,Barbara;Łuszczki,JarogniewJ.;Paneth,Agata;Siwek,Agata;Kołaczkowski,Marcin;Zołnierek,Maria;Nowak,Gabriel[EuropeanJournalofMedicinalChemistry,2014,vol.86,p.690-699]

4430-45-9    66464-86-6   
1-(3-chlorophenyl)acetyl-4-octylthiosemicarbazide 

[1]Plech,Tomasz;Kaproń,Barbara;Łuszczki,JarogniewJ.;Paneth,Agata;Siwek,Agata;Kołaczkowski,Marcin;Zołnierek,Maria;Nowak,Gabriel[EuropeanJournalofMedicinalChemistry,2014,vol.86,p.690-699]

75-15-0   
N,N-dimethyl-N’-octylacetamidine 
  13515-65-6    4430-45-9 

[1]EuropeanJournalofOrganicChemistry,2015,vol.2015,p.7334-7343

Literature
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