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28115-86-8,MFCD00060378
Catalog No.:AA00C216

28115-86-8 | 3-METHYLBENZYL ISOTHIOCYANATE

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1g
98%
1 week  
$170.00   $119.00
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Technical Information
Catalog Number:
AA00C216
Chemical Name:
3-METHYLBENZYL ISOTHIOCYANATE
CAS Number:
28115-86-8
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
MDL Number:
MFCD00060378
SMILES:
S=C=NC(=O)c1cccc(c1)C
Properties
Computed Properties
 
Complexity:
221  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
4.1  

Literature
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SDS
Tags:28115-86-8 Molecular Formula|28115-86-8 MDL|28115-86-8 SMILES|28115-86-8 3-METHYLBENZYL ISOTHIOCYANATE