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112523-66-7 | Benzenamine, N-1,3-dithiolan-2-ylidene-4-pentyl-
CAS No: 112523-66-7 Catalog No: AG0082DH MDL No:
Product Description
Catalog Number:
AG0082DH
Chemical Name:
Benzenamine, N-1,3-dithiolan-2-ylidene-4-pentyl-
CAS Number:
112523-66-7
Molecular Formula:
C14H19NS2
Molecular Weight:
265.4374
IUPAC Name:
N-(4-pentylphenyl)-1,3-dithiolan-2-imine
InChI:
InChI=1S/C14H19NS2/c1-2-3-4-5-12-6-8-13(9-7-12)15-14-16-10-11-17-14/h6-9H,2-5,10-11H2,1H3
InChI Key:
XXIPSKCCZDJCNP-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1)N=C1SCCS1
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.433g/mol
Monoisotopic Mass:
265.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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