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51308-58-8 | (4-(1,1-Dimethylethyl)phenyl)methyl hexyl-3-pyridinylcarbonimidodithioate
CAS No: 51308-58-8 Catalog No: AG00DVBU MDL No:
Product Description
Catalog Number:
AG00DVBU
Chemical Name:
(4-(1,1-Dimethylethyl)phenyl)methyl hexyl-3-pyridinylcarbonimidodithioate
CAS Number:
51308-58-8
IUPAC Name:
1-[(4-tert-butylphenyl)methylsulfanyl]-1-hexylsulfanyl-N-pyridin-3-ylmethanimine
InChI:
InChI=1S/C23H32N2S2/c1-5-6-7-8-16-26-22(25-21-10-9-15-24-17-21)27-18-19-11-13-20(14-12-19)23(2,3)4/h9-15,17H,5-8,16,18H2,1-4H3
InChI Key:
GBXKJAOSGYVSQH-UHFFFAOYSA-N
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.201g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
400.643g/mol
Monoisotopic Mass:
400.201g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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