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88017-38-3 | Cyclohexanamine, N-[2-methyl-2-(propylthio)propylidene]-
CAS No: 88017-38-3 Catalog No: AG004GNX MDL No:
Product Description
Catalog Number:
AG004GNX
Chemical Name:
Cyclohexanamine, N-[2-methyl-2-(propylthio)propylidene]-
CAS Number:
88017-38-3
Molecular Formula:
C13H25NS
Molecular Weight:
227.4093
IUPAC Name:
N-cyclohexyl-2-methyl-2-propylsulfanylpropan-1-imine
InChI:
InChI=1S/C13H25NS/c1-4-10-15-13(2,3)11-14-12-8-6-5-7-9-12/h11-12H,4-10H2,1-3H3
InChI Key:
ZVONGTLPUNFIIW-UHFFFAOYSA-N
SMILES:
CCCSC(C=NC1CCCCC1)(C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.171g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.41g/mol
Monoisotopic Mass:
227.171g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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