Home Carbonyls Cyclohexanecarbonyl isothiocyanate (9CI)

Cyclohexanecarbonyl isothiocyanate (9CI)

CAS No.:
27699-51-0
Catalog Number:
AG002UHL
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
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Product Description
Catalog Number:
AG002UHL
Chemical Name:
Cyclohexanecarbonyl isothiocyanate (9CI)
CAS Number:
27699-51-0
Molecular Formula:
C8H11NOS
Molecular Weight:
169.2440
MDL Number:
MFCD08271814
IUPAC Name:
cyclohexanecarbonyl isothiocyanate
InChI:
InChI=1S/C8H11NOS/c10-8(9-6-11)7-4-2-1-3-5-7/h7H,1-5H2
InChI Key:
WSAOMDFBTKKMJA-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)C1CCCCC1
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.056g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.242g/mol
Monoisotopic Mass:
169.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties