zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)

C20H26MnN8O4S10Zn — CID 3033883

IUPACzinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
SMILESCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC.S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Mn+2].[Zn+2]
InChIInChI=1S/C12H14N4O4S2.2C4H8N2S4.Mn.Zn/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2;2*7-3(8)5-1-2-6-4(9)10;;/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22);2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;;2*+2/p-4
InChIKeyFQBYJPDVDFFJHS-UHFFFAOYSA-J
MW883.48 g/mol
LogP1.45
Rot. Bonds8

About zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)

zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) (PubChem CID 3033883) has the molecular formula C20H26MnN8O4S10Zn and a molecular weight of 883.48 g/mol. Its IUPAC name is zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate).

Molecular Properties

Compound Namezinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
PubChem CID3033883
Molecular FormulaC20H26MnN8O4S10Zn
Molecular Weight883.48 g/mol
Exact Mass880.80
IUPAC Namezinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)
SMILESCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC.S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Mn+2].[Zn+2]
InChIInChI=1S/C12H14N4O4S2.2C4H8N2S4.Mn.Zn/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2;2*7-3(8)5-1-2-6-4(9)10;;/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22);2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;;2*+2/p-4
InChIKeyFQBYJPDVDFFJHS-UHFFFAOYSA-J
XLogP1.45
TPSA148.84 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.48
LogP ≤ 51.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) 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 zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
The IUPAC name of zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) (CID 3033883) is zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate).
What is the SMILES notation for zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
The canonical SMILES for zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) is COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC.S=C([S-])NCCNC(=S)[S-].S=C([S-])NCCNC(=S)[S-].[Mn+2].[Zn+2].
What is the InChIKey of zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
The InChIKey is FQBYJPDVDFFJHS-UHFFFAOYSA-J. The full InChI is InChI=1S/C12H14N4O4S2.2C4H8N2S4.Mn.Zn/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2;2*7-3(8)5-1-2-6-4(9)10;;/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22);2*1-2H2,(H2,5,7,8)(H2,6,9,10);;/q;;;2*+2/p-4.
What are the key properties of zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate)?
zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) has a molecular weight of 883.48 g/mol, XLogP of 1.45, 8 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;manganese(2+);methyl N-[[2-(methoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate;bis(N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate) is sourced from PubChem (CID 3033883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).