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89862-60-2 | 2,6-Pyridinedicarbothioic acid, S,S-bis[4-(formyloxy)butyl] ester
CAS No: 89862-60-2 Catalog No: AG003X1P MDL No:
Product Description
Catalog Number:
AG003X1P
Chemical Name:
2,6-Pyridinedicarbothioic acid, S,S-bis[4-(formyloxy)butyl] ester
CAS Number:
89862-60-2
Molecular Formula:
C17H21NO6S2
Molecular Weight:
399.4817
IUPAC Name:
4-[6-(4-formyloxybutylsulfanylcarbonyl)pyridine-2-carbonyl]sulfanylbutyl formate
InChI:
InChI=1S/C17H21NO6S2/c19-12-23-8-1-3-10-25-16(21)14-6-5-7-15(18-14)17(22)26-11-4-2-9-24-13-20/h5-7,12-13H,1-4,8-11H2
InChI Key:
JYVVOHYKNZOZDZ-UHFFFAOYSA-N
SMILES:
O=COCCCCSC(=O)c1cccc(n1)C(=O)SCCCCOC=O
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.081g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.476g/mol
Monoisotopic Mass:
399.081g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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