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51308-74-8 | Heptyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
CAS No: 51308-74-8 Catalog No: AG00DWTU MDL No:
Product Description
Catalog Number:
AG00DWTU
Chemical Name:
Heptyl (4-(1-methylethyl)phenyl)methyl-3-pyridinylcarbonimidodithioate
CAS Number:
51308-74-8
IUPAC Name:
1-heptylsulfanyl-1-[(4-propan-2-ylphenyl)methylsulfanyl]-N-pyridin-3-ylmethanimine
InChI:
InChI=1S/C23H32N2S2/c1-4-5-6-7-8-16-26-23(25-22-10-9-15-24-17-22)27-18-20-11-13-21(14-12-20)19(2)3/h9-15,17,19H,4-8,16,18H2,1-3H3
InChI Key:
RHUROUFPNYQFHS-UHFFFAOYSA-N
Properties
Complexity:
403
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:
12
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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