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89862-52-2 | 2,6-Pyridinedicarbothioic acid, S,S-bis[3-(formyloxy)propyl] ester
CAS No: 89862-52-2 Catalog No: AG003WQM MDL No:
Product Description
Catalog Number:
AG003WQM
Chemical Name:
2,6-Pyridinedicarbothioic acid, S,S-bis[3-(formyloxy)propyl] ester
CAS Number:
89862-52-2
Molecular Formula:
C15H17NO6S2
Molecular Weight:
371.4286
IUPAC Name:
3-[6-(3-formyloxypropylsulfanylcarbonyl)pyridine-2-carbonyl]sulfanylpropyl formate
InChI:
InChI=1S/C15H17NO6S2/c17-10-21-6-2-8-23-14(19)12-4-1-5-13(16-12)15(20)24-9-3-7-22-11-18/h1,4-5,10-11H,2-3,6-9H2
InChI Key:
GMMULHBZUGIXKV-UHFFFAOYSA-N
SMILES:
O=COCCCSC(=O)c1cccc(n1)C(=O)SCCCOC=O
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.05g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.422g/mol
Monoisotopic Mass:
371.05g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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