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89388-42-1 | Benzenamine, N-1,3-dithiolan-2-ylidene-4-propyl-, sulfate
CAS No: 89388-42-1 Catalog No: AG003WKK MDL No:
Product Description
Catalog Number:
AG003WKK
Chemical Name:
Benzenamine, N-1,3-dithiolan-2-ylidene-4-propyl-, sulfate
CAS Number:
89388-42-1
Molecular Formula:
C12H17NO4S3
Molecular Weight:
335.4627
IUPAC Name:
N-(4-propylphenyl)-1,3-dithiolan-2-imine;sulfuric acid
InChI:
InChI=1S/C12H15NS2.H2O4S/c1-2-3-10-4-6-11(7-5-10)13-12-14-8-9-15-12;1-5(2,3)4/h4-7H,2-3,8-9H2,1H3;(H2,1,2,3,4)
InChI Key:
BXTKGZASSIZMRX-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCc1ccc(cc1)N=C1SCCS1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.032g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.451g/mol
Monoisotopic Mass:
335.032g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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