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89388-40-9 | Benzenamine, 4-(1,1-dimethylethyl)-N-1,3-dithiolan-2-ylidene-
CAS No: 89388-40-9 Catalog No: AG003WBI MDL No:
Product Description
Catalog Number:
AG003WBI
Chemical Name:
Benzenamine, 4-(1,1-dimethylethyl)-N-1,3-dithiolan-2-ylidene-
CAS Number:
89388-40-9
Molecular Formula:
C13H17NS2
Molecular Weight:
251.4108
IUPAC Name:
N-(4-tert-butylphenyl)-1,3-dithiolan-2-imine
InChI:
InChI=1S/C13H17NS2/c1-13(2,3)10-4-6-11(7-5-10)14-12-15-8-9-16-12/h4-7H,8-9H2,1-3H3
InChI Key:
NHGQWROCTVOMSA-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)N=C1SCCS1)(C)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.406g/mol
Monoisotopic Mass:
251.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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