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6068-90-2,MFCD00052446
Catalog No.:AA00EAD9

6068-90-2 | Cyclopropylmethyl isothiocyanate

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1g
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$143.00   $100.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00EAD9
Chemical Name:
Cyclopropylmethyl isothiocyanate
CAS Number:
6068-90-2
Molecular Formula:
C5H7NS
Molecular Weight:
113.1808
MDL Number:
MFCD00052446
SMILES:
S=C=NCC1CC1
Properties
Computed Properties
 
Complexity:
101  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2.3  

Literature

Title: Conformational studies of cyclopropylmethyl isothiocyanate from temperature-dependent FT-IR spectra of rare gas solutions and ab initio calculations.

Journal: The journal of physical chemistry. A 20060727

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Tags:6068-90-2 Molecular Formula|6068-90-2 MDL|6068-90-2 SMILES|6068-90-2 Cyclopropylmethyl isothiocyanate