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89388-44-3 | Benzenamine, N-1,3-dithiolan-2-ylidene-4-(1-methylethyl)-, sulfate
CAS No: 89388-44-3 Catalog No: AG003WBH MDL No:
Product Description
Catalog Number:
AG003WBH
Chemical Name:
Benzenamine, N-1,3-dithiolan-2-ylidene-4-(1-methylethyl)-, sulfate
CAS Number:
89388-44-3
Molecular Formula:
C12H17NO4S3
Molecular Weight:
335.4627
IUPAC Name:
N-(4-propan-2-ylphenyl)-1,3-dithiolan-2-imine;sulfuric acid
InChI:
InChI=1S/C12H15NS2.H2O4S/c1-9(2)10-3-5-11(6-4-10)13-12-14-7-8-15-12;1-5(2,3)4/h3-6,9H,7-8H2,1-2H3;(H2,1,2,3,4)
InChI Key:
WDYKBQOZAVKUBE-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CC(c1ccc(cc1)N=C1SCCS1)C
Properties
Complexity:
303
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:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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