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89862-53-3 | 2,6-Pyridinedicarbothioic acid, S-[3-(formyloxy)propyl] S-methyl ester
CAS No: 89862-53-3 Catalog No: AG003WQL MDL No:
Product Description
Catalog Number:
AG003WQL
Chemical Name:
2,6-Pyridinedicarbothioic acid, S-[3-(formyloxy)propyl] S-methyl ester
CAS Number:
89862-53-3
Molecular Formula:
C12H13NO4S2
Molecular Weight:
299.3659
IUPAC Name:
3-(6-methylsulfanylcarbonylpyridine-2-carbonyl)sulfanylpropyl formate
InChI:
InChI=1S/C12H13NO4S2/c1-18-11(15)9-4-2-5-10(13-9)12(16)19-7-3-6-17-8-14/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
HGWOQCUDTJIPMF-UHFFFAOYSA-N
SMILES:
CSC(=O)c1cccc(n1)C(=O)SCCCOC=O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.029g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.359g/mol
Monoisotopic Mass:
299.029g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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