carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane

C10H17MnO3S2- — CID 172991230

IUPACcarbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.[C-]#[O+].[Mn].c1cc[cH-]c1
InChIInChI=1S/C5H5.2C2H6OS.CO.Mn/c1-2-4-5-3-1;2*1-4(2)3;1-2;/h1-5H;2*1-2H3;;/q-1;;;;
InChIKeyFTBRXPYHBZMJJE-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.35
Rot. Bonds

About carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane

carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane (PubChem CID 172991230) has the molecular formula C10H17MnO3S2- and a molecular weight of 304.32 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane
PubChem CID172991230
Molecular FormulaC10H17MnO3S2-
Molecular Weight304.32 g/mol
Exact Mass304.00
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane
SMILESCS(C)=O.CS(C)=O.[C-]#[O+].[Mn].c1cc[cH-]c1
InChIInChI=1S/C5H5.2C2H6OS.CO.Mn/c1-2-4-5-3-1;2*1-4(2)3;1-2;/h1-5H;2*1-2H3;;/q-1;;;;
InChIKeyFTBRXPYHBZMJJE-UHFFFAOYSA-N
XLogP1.35
TPSA54.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane (CID 172991230) is carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane is CS(C)=O.CS(C)=O.[C-]#[O+].[Mn].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane?
The InChIKey is FTBRXPYHBZMJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.2C2H6OS.CO.Mn/c1-2-4-5-3-1;2*1-4(2)3;1-2;/h1-5H;2*1-2H3;;/q-1;;;;.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane?
carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane has a molecular weight of 304.32 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane is sourced from PubChem (CID 172991230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).