zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)

C11H18MnN2S8Zn — CID 161215587

IUPACzinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
SMILESC.S=C([S-])CCCNC(=S)[S-].S=C([S-])CCCNC(=S)[S-].[Mn+2].[Zn+2]
InChIInChI=1S/2C5H9NS4.CH4.Mn.Zn/c2*7-4(8)2-1-3-6-5(9)10;;;/h2*1-3H2,(H,7,8)(H2,6,9,10);1H4;;/q;;;2*+2/p-4
InChIKeyUWUWFAKMGCKRRN-UHFFFAOYSA-J
MW555.14 g/mol
LogP2.76
Rot. Bonds8

About zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)

zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate) (PubChem CID 161215587) has the molecular formula C11H18MnN2S8Zn and a molecular weight of 555.14 g/mol. Its IUPAC name is zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate).

Molecular Properties

Compound Namezinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
PubChem CID161215587
Molecular FormulaC11H18MnN2S8Zn
Molecular Weight555.14 g/mol
Exact Mass552.79
IUPAC Namezinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)
SMILESC.S=C([S-])CCCNC(=S)[S-].S=C([S-])CCCNC(=S)[S-].[Mn+2].[Zn+2]
InChIInChI=1S/2C5H9NS4.CH4.Mn.Zn/c2*7-4(8)2-1-3-6-5(9)10;;;/h2*1-3H2,(H,7,8)(H2,6,9,10);1H4;;/q;;;2*+2/p-4
InChIKeyUWUWFAKMGCKRRN-UHFFFAOYSA-J
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.14
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

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carbanide;manganese(2+);4-(methylsulfanylcarbothioylamino)butanedithioate
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tetrakis(N-hexylcarbamodithioate);molybdenum(4+)
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CID 173431312
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sodium N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]carbamodithioate
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CID 87867679
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CID 158001071

Frequently Asked Questions

What is the IUPAC name of zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)?
The IUPAC name of zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate) (CID 161215587) is zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate).
What is the SMILES notation for zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)?
The canonical SMILES for zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate) is C.S=C([S-])CCCNC(=S)[S-].S=C([S-])CCCNC(=S)[S-].[Mn+2].[Zn+2].
What is the InChIKey of zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)?
The InChIKey is UWUWFAKMGCKRRN-UHFFFAOYSA-J. The full InChI is InChI=1S/2C5H9NS4.CH4.Mn.Zn/c2*7-4(8)2-1-3-6-5(9)10;;;/h2*1-3H2,(H,7,8)(H2,6,9,10);1H4;;/q;;;2*+2/p-4.
What are the key properties of zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate)?
zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate) has a molecular weight of 555.14 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;manganese(2+);methane;bis(4-(sulfidocarbothioylamino)butanedithioate) is sourced from PubChem (CID 161215587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).