Home Other Building Blocks CYCLOHEXANEMETHYL ISOTHIOCYANATE

CYCLOHEXANEMETHYL ISOTHIOCYANATE

CAS No.:
52395-66-1
Catalog Number:
AG003P4Q
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
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Product Description
Catalog Number:
AG003P4Q
Chemical Name:
CYCLOHEXANEMETHYL ISOTHIOCYANATE
CAS Number:
52395-66-1
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
MDL Number:
MFCD00040881
IUPAC Name:
isothiocyanatomethylcyclohexane
InChI:
InChI=1S/C8H13NS/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
InChI Key:
RYBJNWIQNLZNPE-UHFFFAOYSA-N
SMILES:
S=C=NCC1CCCCC1
NSC Number:
400136
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.077g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.259g/mol
Monoisotopic Mass:
155.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Selective depletion of mutant p53 by cancer chemopreventive isothiocyanates and their structure-activity relationships. Journal of medicinal chemistry 20110210
Properties