manganese(2+);bis(octane-1-thiolate)

C16H34MnS2 — CID 88657665

IUPACmanganese(2+);bis(octane-1-thiolate)
SMILESCCCCCCCC[S-].CCCCCCCC[S-].[Mn+2]
InChIInChI=1S/2C8H18S.Mn/c2*1-2-3-4-5-6-7-8-9;/h2*9H,2-8H2,1H3;/q;;+2/p-2
InChIKeyCRYDINXTMYXHMC-UHFFFAOYSA-L
MW345.52 g/mol
LogP5.79
Rot. Bonds12

About manganese(2+);bis(octane-1-thiolate)

manganese(2+);bis(octane-1-thiolate) (PubChem CID 88657665) has the molecular formula C16H34MnS2 and a molecular weight of 345.52 g/mol. Its IUPAC name is manganese(2+);bis(octane-1-thiolate).

Molecular Properties

Compound Namemanganese(2+);bis(octane-1-thiolate)
PubChem CID88657665
Molecular FormulaC16H34MnS2
Molecular Weight345.52 g/mol
Exact Mass345.15
IUPAC Namemanganese(2+);bis(octane-1-thiolate)
SMILESCCCCCCCC[S-].CCCCCCCC[S-].[Mn+2]
InChIInChI=1S/2C8H18S.Mn/c2*1-2-3-4-5-6-7-8-9;/h2*9H,2-8H2,1H3;/q;;+2/p-2
InChIKeyCRYDINXTMYXHMC-UHFFFAOYSA-L
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.52
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

docosane-1-thiolate
CID 102062479
silver hexadecane-1-thiolate
CID 100970430
silver octadecane-1-thiolate
CID 22348633
CID 173438464
CID 173438464
potassium octane-1-thiolate
CID 23682502
hexane-1-thiolate;titanium(4+)
CID 172788894
gold(1+);tetradecane-1-thiolate
CID 118692951
bis(decane-1-thiolate);dimethyltin(2+)
CID 21453567
mercury(2+);pentane-1-thiolate;iodide
CID 101041651
CID 134927802
CID 134927802
dioctyltin(2+);bis(octane-1-thiolate)
CID 23177277
tetrakis(butane-1-thiolate);tin(4+)
CID 102601027

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(octane-1-thiolate)?
The IUPAC name of manganese(2+);bis(octane-1-thiolate) (CID 88657665) is manganese(2+);bis(octane-1-thiolate).
What is the SMILES notation for manganese(2+);bis(octane-1-thiolate)?
The canonical SMILES for manganese(2+);bis(octane-1-thiolate) is CCCCCCCC[S-].CCCCCCCC[S-].[Mn+2].
What is the InChIKey of manganese(2+);bis(octane-1-thiolate)?
The InChIKey is CRYDINXTMYXHMC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H18S.Mn/c2*1-2-3-4-5-6-7-8-9;/h2*9H,2-8H2,1H3;/q;;+2/p-2.
What are the key properties of manganese(2+);bis(octane-1-thiolate)?
manganese(2+);bis(octane-1-thiolate) has a molecular weight of 345.52 g/mol, XLogP of 5.79, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(octane-1-thiolate) is sourced from PubChem (CID 88657665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).