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51308-59-9 | (4-(1,1-Dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl-3-pyridinylcarbonimidodithioate
CAS No: 51308-59-9 Catalog No: AG00DVBX MDL No:
Product Description
Catalog Number:
AG00DVBX
Chemical Name:
(4-(1,1-Dimethylethyl)phenyl)methyl 1-ethyl-1-methylpropyl-3-pyridinylcarbonimidodithioate
CAS Number:
51308-59-9
IUPAC Name:
1-[(4-tert-butylphenyl)methylsulfanyl]-1-(3-methylpentan-3-ylsulfanyl)-N-pyridin-3-ylmethanimine
InChI:
InChI=1S/C23H32N2S2/c1-7-23(6,8-2)27-21(25-20-10-9-15-24-16-20)26-17-18-11-13-19(14-12-18)22(3,4)5/h9-16H,7-8,17H2,1-6H3
InChI Key:
IKQLWDOBBHJGCZ-UHFFFAOYSA-N
Properties
Complexity:
458
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:
9
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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