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89388-48-7 | Benzenamine, 4-butyl-N-1,3-dithiolan-2-ylidene-, sulfate
CAS No: 89388-48-7 Catalog No: AG003WBG MDL No:
Product Description
Catalog Number:
AG003WBG
Chemical Name:
Benzenamine, 4-butyl-N-1,3-dithiolan-2-ylidene-, sulfate
CAS Number:
89388-48-7
Molecular Formula:
C13H19NO4S3
Molecular Weight:
349.4893
IUPAC Name:
N-(4-butylphenyl)-1,3-dithiolan-2-imine;sulfuric acid
InChI:
InChI=1S/C13H17NS2.H2O4S/c1-2-3-4-11-5-7-12(8-6-11)14-13-15-9-10-16-13;1-5(2,3)4/h5-8H,2-4,9-10H2,1H3;(H2,1,2,3,4)
InChI Key:
AXXGTAJSJYDZQJ-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCCc1ccc(cc1)N=C1SCCS1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.048g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.478g/mol
Monoisotopic Mass:
349.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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