Home Other Building Blocks 1-isothiocyanato-2-methylcyclohexane

1-isothiocyanato-2-methylcyclohexane

CAS No.:
885460-75-3
Catalog Number:
AG019K10
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
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Product Description
Catalog Number:
AG019K10
Chemical Name:
1-isothiocyanato-2-methylcyclohexane
CAS Number:
885460-75-3
Molecular Formula:
C8H13NS
Molecular Weight:
155.2605
MDL Number:
MFCD06655196
IUPAC Name:
1-isothiocyanato-2-methylcyclohexane
InChI:
InChI=1S/C8H13NS/c1-7-4-2-3-5-8(7)9-6-10/h7-8H,2-5H2,1H3
InChI Key:
PZMGXEOAUNVRIR-UHFFFAOYSA-N
SMILES:
S=C=NC1CCCCC1C
Properties
Complexity:
149  
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:
1  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties