methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)

C14H17NO6S2V — CID 139115046

IUPACmethylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)
SMILESCS(C)=O.CS(C)=O.O=C([O-])c1ccc2cccc([O-])c2n1.[O-2].[V+4]
InChIInChI=1S/C10H7NO3.2C2H6OS.O.V/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;2*1-4(2)3;;/h1-5,12H,(H,13,14);2*1-2H3;;/q;;;-2;+4/p-2
InChIKeyQEXKCLVXEDQHFH-UHFFFAOYSA-L
MW410.37 g/mol
LogP-0.46
Rot. Bonds1

About methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)

methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+) (PubChem CID 139115046) has the molecular formula C14H17NO6S2V and a molecular weight of 410.37 g/mol. Its IUPAC name is methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+).

Molecular Properties

Compound Namemethylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)
PubChem CID139115046
Molecular FormulaC14H17NO6S2V
Molecular Weight410.37 g/mol
Exact Mass409.99
IUPAC Namemethylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)
SMILESCS(C)=O.CS(C)=O.O=C([O-])c1ccc2cccc([O-])c2n1.[O-2].[V+4]
InChIInChI=1S/C10H7NO3.2C2H6OS.O.V/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;2*1-4(2)3;;/h1-5,12H,(H,13,14);2*1-2H3;;/q;;;-2;+4/p-2
InChIKeyQEXKCLVXEDQHFH-UHFFFAOYSA-L
XLogP-0.46
TPSA138.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)?
The IUPAC name of methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+) (CID 139115046) is methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+).
What is the SMILES notation for methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)?
The canonical SMILES for methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+) is CS(C)=O.CS(C)=O.O=C([O-])c1ccc2cccc([O-])c2n1.[O-2].[V+4].
What is the InChIKey of methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)?
The InChIKey is QEXKCLVXEDQHFH-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7NO3.2C2H6OS.O.V/c12-8-3-1-2-6-4-5-7(10(13)14)11-9(6)8;2*1-4(2)3;;/h1-5,12H,(H,13,14);2*1-2H3;;/q;;;-2;+4/p-2.
What are the key properties of methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+)?
methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+) has a molecular weight of 410.37 g/mol, XLogP of -0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfinylmethane;8-oxidoquinoline-2-carboxylate;oxygen(2-);vanadium(4+) is sourced from PubChem (CID 139115046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).