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51308-57-7 | 1,1-Dimethylethyl (4-(1,1-dimethylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
CAS No: 51308-57-7 Catalog No: AG00DV8Q MDL No:
Product Description
Catalog Number:
AG00DV8Q
Chemical Name:
1,1-Dimethylethyl (4-(1,1-dimethylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
CAS Number:
51308-57-7
IUPAC Name:
[1-(4-tert-butylphenyl)-2,2-dimethylpropyl] N-pyridin-3-ylcarbamodithioate
InChI:
InChI=1S/C21H28N2S2/c1-20(2,3)16-11-9-15(10-12-16)18(21(4,5)6)25-19(24)23-17-8-7-13-22-14-17/h7-14,18H,1-6H3,(H,23,24)
InChI Key:
MIZZFOUKRBLVDP-UHFFFAOYSA-N
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.169g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.589g/mol
Monoisotopic Mass:
372.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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