carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium

C9H5MnO3S+ — CID 139264199

IUPACcarbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[S+].[Mn+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.3CO.CS.Mn/c1-2-4-5-3-1;4*1-2;/h1-5H;;;;;/q-1;;;;;+2
InChIKeyNJDAXJLDAPGIBZ-UHFFFAOYSA-N
MW248.14 g/mol
LogP1.37
Rot. Bonds

About carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium

carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium (PubChem CID 139264199) has the molecular formula C9H5MnO3S+ and a molecular weight of 248.14 g/mol. Its IUPAC name is carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium.

Molecular Properties

Compound Namecarbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium
PubChem CID139264199
Molecular FormulaC9H5MnO3S+
Molecular Weight248.14 g/mol
Exact Mass247.93
IUPAC Namecarbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[S+].[Mn+2].c1cc[cH-]c1
InChIInChI=1S/C5H5.3CO.CS.Mn/c1-2-4-5-3-1;4*1-2;/h1-5H;;;;;/q-1;;;;;+2
InChIKeyNJDAXJLDAPGIBZ-UHFFFAOYSA-N
XLogP1.37
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

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CID 42615928
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CID 139264256
CID 139264256
carbon monoxide;bis(cyclopenta-1,3-diene);bis(iron(2+));methanone
CID 44630214
Iron, dicarbonyl-pi-cyclopentadienyl(trimethylsilyl)-
CID 11986650
cobalt;cyclopenta-1,3-diene
CID 25199992
bis(cyclopenta-1,3-diene);uranium(2+)
CID 154419061
bis(cyclopenta-1,3-diene);nickel
CID 25199994
bis(cyclopenta-1,3-diene);gold
CID 140990202
carbon monoxide;cyclopenta-1,3-diene;manganese;methylsulfinylmethane
CID 172991230
tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate
CID 42619259
bis(cyclopenta-1,3-diene);iron;iron(2+)
CID 160503469

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium?
The IUPAC name of carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium (CID 139264199) is carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium.
What is the SMILES notation for carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium?
The canonical SMILES for carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[S+].[Mn+2].c1cc[cH-]c1.
What is the InChIKey of carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium?
The InChIKey is NJDAXJLDAPGIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3CO.CS.Mn/c1-2-4-5-3-1;4*1-2;/h1-5H;;;;;/q-1;;;;;+2.
What are the key properties of carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium?
carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium has a molecular weight of 248.14 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;cyclopenta-1,3-diene;manganese(2+);methanidylidynesulfanium is sourced from PubChem (CID 139264199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).