butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide

C10H16MoN2O6S-6 — CID 139140431

IUPACbutyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide
SMILESCCCC[S@@](=O)(=NC)c1ccccn1.[Mo].[O-2].[O-][O-].[O-][O-]
InChIInChI=1S/C10H16N2OS.Mo.2O2.O/c1-3-4-9-14(13,11-2)10-7-5-6-8-12-10;;2*1-2;/h5-8H,3-4,9H2,1-2H3;;;;/q;;3*-2/t14-;;;;/m0..../s1
InChIKeyPWTJEBAQYBJGEI-XCYGSCDUSA-N
MW388.25 g/mol
LogP-2.54
Rot. Bonds4

About butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide

butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide (PubChem CID 139140431) has the molecular formula C10H16MoN2O6S-6 and a molecular weight of 388.25 g/mol. Its IUPAC name is butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide.

Molecular Properties

Compound Namebutyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide
PubChem CID139140431
Molecular FormulaC10H16MoN2O6S-6
Molecular Weight388.25 g/mol
Exact Mass389.98
IUPAC Namebutyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide
SMILESCCCC[S@@](=O)(=NC)c1ccccn1.[Mo].[O-2].[O-][O-].[O-][O-]
InChIInChI=1S/C10H16N2OS.Mo.2O2.O/c1-3-4-9-14(13,11-2)10-7-5-6-8-12-10;;2*1-2;/h5-8H,3-4,9H2,1-2H3;;;;/q;;3*-2/t14-;;;;/m0..../s1
InChIKeyPWTJEBAQYBJGEI-XCYGSCDUSA-N
XLogP-2.54
TPSA163.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 5-2.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

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CID 175603723
octyl pyridine-2-sulfonate
CID 14266027
tributylstannyl pyridine-2-sulfonate
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2-[(2R)-2-methylheptyl]sulfonylpyridine
CID 102521509
N-propylpyridine-2-sulfonamide
CID 91182516
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-(2-butylsulfonylethylsulfanyl)pyridine
CID 45490179
3-pyridin-2-ylsulfonylpropan-1-ol
CID 54271342
tributyl(3-pyridin-2-ylsulfonylprop-1-en-2-yl)stannane
CID 11598029
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
2-(tribromomethylsulfonyl)pyridine
CID 159318212

Frequently Asked Questions

What is the IUPAC name of butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide?
The IUPAC name of butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide (CID 139140431) is butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide.
What is the SMILES notation for butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide?
The canonical SMILES for butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide is CCCC[S@@](=O)(=NC)c1ccccn1.[Mo].[O-2].[O-][O-].[O-][O-].
What is the InChIKey of butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide?
The InChIKey is PWTJEBAQYBJGEI-XCYGSCDUSA-N. The full InChI is InChI=1S/C10H16N2OS.Mo.2O2.O/c1-3-4-9-14(13,11-2)10-7-5-6-8-12-10;;2*1-2;/h5-8H,3-4,9H2,1-2H3;;;;/q;;3*-2/t14-;;;;/m0..../s1.
What are the key properties of butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide?
butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide has a molecular weight of 388.25 g/mol, XLogP of -2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-methylimino-oxo-pyridin-2-yl-λ6-sulfane;molybdenum;oxygen(2-);diperoxide is sourced from PubChem (CID 139140431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).