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89388-46-5 | Benzenamine, N-1,3-dithiolan-2-ylidene-4-octyl-, sulfate
CAS No: 89388-46-5 Catalog No: AG0058H6 MDL No:
Product Description
Catalog Number:
AG0058H6
Chemical Name:
Benzenamine, N-1,3-dithiolan-2-ylidene-4-octyl-, sulfate
CAS Number:
89388-46-5
Molecular Formula:
C17H27NO4S3
Molecular Weight:
405.5956
IUPAC Name:
N-(4-octylphenyl)-1,3-dithiolan-2-imine;sulfuric acid
InChI:
InChI=1S/C17H25NS2.H2O4S/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)18-17-19-13-14-20-17;1-5(2,3)4/h9-12H,2-8,13-14H2,1H3;(H2,1,2,3,4)
InChI Key:
XXNSHBNOHKGPNB-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCCCCCCc1ccc(cc1)N=C1SCCS1
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.586g/mol
Monoisotopic Mass:
405.11g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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