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Home Other Building Blocks 737000-89-4
737000-89-4,MFCD05664047
Catalog No.:AA003BFW

737000-89-4 | (1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$145.00   $102.00
- +
1g
97%
in stock  
$311.00   $218.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003BFW
Chemical Name:
(1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate
CAS Number:
737000-89-4
Molecular Formula:
C14H17NOS
Molecular Weight:
247.3559
MDL Number:
MFCD05664047
SMILES:
S=C=N[C@H]1CCCC[C@@H]1OCc1ccccc1
Properties
Properties
 
BP:
374.4±31.0 °C(Predicted)  
Form:
Solid  
MP:
33-36℃  
Refractive Index:
1.5674  
Stability:
Moisture Sensitive  

Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
4.2  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartHutinec,Antun;Rupcic,Renata;Ziher,Dinko;Smith,KirstenS.;Milhous,Wilbur;Ellis,William;Ohrt,Colin;Schoenfeld,ZrinkaIvezic[BioorganicandMedicinalChemistry,2011,vol.19,#5,p.1692-1701]

Literature
Quotation Request
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Additional Info:
SDS
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Tags:737000-89-4 Molecular Formula|737000-89-4 MDL|737000-89-4 SMILES|737000-89-4 (1S,2S)-(+)-2-Benzyloxycyclohexyl isothiocyanate