pentane-1-thiolate;tris(rubidium(1+))

C5H10Rb3S+ — CID 59203343

IUPACpentane-1-thiolate;tris(rubidium(1+))
SMILESCCCC[CH-][S-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C5H10S.3Rb/c1-2-3-4-5-6;;;/h5H,2-4H2,1H3;;;/q-2;3*+1
InChIKeyVDJQSFXRGOHZRP-UHFFFAOYSA-N
MW358.61 g/mol
LogP-7.10
Rot. Bonds3

About pentane-1-thiolate;tris(rubidium(1+))

pentane-1-thiolate;tris(rubidium(1+)) (PubChem CID 59203343) has the molecular formula C5H10Rb3S+ and a molecular weight of 358.61 g/mol. Its IUPAC name is pentane-1-thiolate;tris(rubidium(1+)).

Molecular Properties

Compound Namepentane-1-thiolate;tris(rubidium(1+))
PubChem CID59203343
Molecular FormulaC5H10Rb3S+
Molecular Weight358.61 g/mol
Exact Mass356.79
IUPAC Namepentane-1-thiolate;tris(rubidium(1+))
SMILESCCCC[CH-][S-].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C5H10S.3Rb/c1-2-3-4-5-6;;;/h5H,2-4H2,1H3;;;/q-2;3*+1
InChIKeyVDJQSFXRGOHZRP-UHFFFAOYSA-N
XLogP-7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.61
LogP ≤ 5-7.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

octane-1-thiolate;tris(rubidium(1+))
CID 59203356
cobalt;pentan-1-amine
CID 140866322
CID 158135492
CID 158135492
azane;hexane
CID 18428977
hexane;tungsten
CID 162105258
hexadecakis(pentane);dihydrate
CID 173099119
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexane;molybdenum
CID 162092649
alumane;pentane
CID 173125985
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782

Frequently Asked Questions

What is the IUPAC name of pentane-1-thiolate;tris(rubidium(1+))?
The IUPAC name of pentane-1-thiolate;tris(rubidium(1+)) (CID 59203343) is pentane-1-thiolate;tris(rubidium(1+)).
What is the SMILES notation for pentane-1-thiolate;tris(rubidium(1+))?
The canonical SMILES for pentane-1-thiolate;tris(rubidium(1+)) is CCCC[CH-][S-].[Rb+].[Rb+].[Rb+].
What is the InChIKey of pentane-1-thiolate;tris(rubidium(1+))?
The InChIKey is VDJQSFXRGOHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S.3Rb/c1-2-3-4-5-6;;;/h5H,2-4H2,1H3;;;/q-2;3*+1.
What are the key properties of pentane-1-thiolate;tris(rubidium(1+))?
pentane-1-thiolate;tris(rubidium(1+)) has a molecular weight of 358.61 g/mol, XLogP of -7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1-thiolate;tris(rubidium(1+)) is sourced from PubChem (CID 59203343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).