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89388-39-6 | Benzenamine, 4-cyclohexyl-N-1,3-dithiolan-2-ylidene-
CAS No: 89388-39-6 Catalog No: AG003WD3 MDL No:
Product Description
Catalog Number:
AG003WD3
Chemical Name:
Benzenamine, 4-cyclohexyl-N-1,3-dithiolan-2-ylidene-
CAS Number:
89388-39-6
Molecular Formula:
C15H19NS2
Molecular Weight:
277.4481
IUPAC Name:
N-(4-cyclohexylphenyl)-1,3-dithiolan-2-imine
InChI:
InChI=1S/C15H19NS2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-15-17-10-11-18-15/h6-9,12H,1-5,10-11H2
InChI Key:
HGXXHKFIQLOIEI-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)c1ccc(cc1)N=C1SCCS1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.444g/mol
Monoisotopic Mass:
277.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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