manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)

C12F10MnS2 — CID 122226400

IUPACmanganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)
SMILESFc1c(F)c(F)c([S-])c(F)c1F.Fc1c(F)c(F)c([S-])c(F)c1F.[Mn+2]
InChIInChI=1S/2C6HF5S.Mn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2
InChIKeyACVMDOLIZCNJRH-UHFFFAOYSA-L
MW453.18 g/mol
LogP4.57
Rot. Bonds

About manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)

manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate) (PubChem CID 122226400) has the molecular formula C12F10MnS2 and a molecular weight of 453.18 g/mol. Its IUPAC name is manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate).

Molecular Properties

Compound Namemanganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)
PubChem CID122226400
Molecular FormulaC12F10MnS2
Molecular Weight453.18 g/mol
Exact Mass452.87
IUPAC Namemanganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)
SMILESFc1c(F)c(F)c([S-])c(F)c1F.Fc1c(F)c(F)c([S-])c(F)c1F.[Mn+2]
InChIInChI=1S/2C6HF5S.Mn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2
InChIKeyACVMDOLIZCNJRH-UHFFFAOYSA-L
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.18
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)?
The IUPAC name of manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate) (CID 122226400) is manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate).
What is the SMILES notation for manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)?
The canonical SMILES for manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate) is Fc1c(F)c(F)c([S-])c(F)c1F.Fc1c(F)c(F)c([S-])c(F)c1F.[Mn+2].
What is the InChIKey of manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)?
The InChIKey is ACVMDOLIZCNJRH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6HF5S.Mn/c2*7-1-2(8)4(10)6(12)5(11)3(1)9;/h2*12H;/q;;+2/p-2.
What are the key properties of manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)?
manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate) has a molecular weight of 453.18 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate) is sourced from PubChem (CID 122226400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).