disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide

C13H22Mo2Na2O4S4- — CID 23229980

IUPACdisodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide
SMILESO=C([O-])C1CCCC1.O=C([O-])C1CCCC1.[Mo+3].[Mo].[Na+].[Na+].[S-]C[S-].[SH-].[SH-]
InChIInChI=1S/2C6H10O2.CH4S2.2Mo.2Na.2H2S/c2*7-6(8)5-3-1-2-4-5;2-1-3;;;;;;/h2*5H,1-4H2,(H,7,8);2-3H,1H2;;;;;2*1H2/q;;;;+3;2*+1;;/p-6
InChIKeyHRRFVKYFQIQXEC-UHFFFAOYSA-H
MW608.44 g/mol
LogP-6.65
Rot. Bonds2

About disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide

disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide (PubChem CID 23229980) has the molecular formula C13H22Mo2Na2O4S4- and a molecular weight of 608.44 g/mol. Its IUPAC name is disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide.

Molecular Properties

Compound Namedisodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide
PubChem CID23229980
Molecular FormulaC13H22Mo2Na2O4S4-
Molecular Weight608.44 g/mol
Exact Mass611.83
IUPAC Namedisodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide
SMILESO=C([O-])C1CCCC1.O=C([O-])C1CCCC1.[Mo+3].[Mo].[Na+].[Na+].[S-]C[S-].[SH-].[SH-]
InChIInChI=1S/2C6H10O2.CH4S2.2Mo.2Na.2H2S/c2*7-6(8)5-3-1-2-4-5;2-1-3;;;;;;/h2*5H,1-4H2,(H,7,8);2-3H,1H2;;;;;2*1H2/q;;;;+3;2*+1;;/p-6
InChIKeyHRRFVKYFQIQXEC-UHFFFAOYSA-H
XLogP-6.65
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.44
LogP ≤ 5-6.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

cyclotetradecanecarboxylate
CID 140590492
trisodium;cyclopropanecarboxylate
CID 141381064
tris(cyclohexanecarboxylate);neodymium(3+)
CID 21259897
cycloheptanecarboxylate;thallium(1+)
CID 22604442
sodium 4-hydroxycyclododecane-1-carboxylate
CID 23699033
CID 171703364
CID 171703364
bis(cyclohexanecarboxylate);indium(3+);chloride
CID 160994257
azanium cyclobutanecarboxylate
CID 160775595
azaniumylmethylazanium;cyclohexane-1,4-dicarboxylate
CID 163546448
cyclopentanecarboxylate;tris(2-hydroxyethyl)azanium
CID 158170706
calcium cyclohexane-1,3-dicarboxylate
CID 140879538
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168

Frequently Asked Questions

What is the IUPAC name of disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide?
The IUPAC name of disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide (CID 23229980) is disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide.
What is the SMILES notation for disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide?
The canonical SMILES for disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide is O=C([O-])C1CCCC1.O=C([O-])C1CCCC1.[Mo+3].[Mo].[Na+].[Na+].[S-]C[S-].[SH-].[SH-].
What is the InChIKey of disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide?
The InChIKey is HRRFVKYFQIQXEC-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H10O2.CH4S2.2Mo.2Na.2H2S/c2*7-6(8)5-3-1-2-4-5;2-1-3;;;;;;/h2*5H,1-4H2,(H,7,8);2-3H,1H2;;;;;2*1H2/q;;;;+3;2*+1;;/p-6.
What are the key properties of disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide?
disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide has a molecular weight of 608.44 g/mol, XLogP of -6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(cyclopentanecarboxylate);methanedithiolate;molybdenum;molybdenum(3+);sulfanide is sourced from PubChem (CID 23229980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).