manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

C6H10MnN2OS4 — CID 88755813

IUPACmanganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[Mn+2]
InChIInChI=1S/C6H12N2OS4.Mn/c10-5(11)7-1-3-9-4-2-8-6(12)13;/h1-4H2,(H2,7,10,11)(H2,8,12,13);/q;+2/p-2
InChIKeyZJMKCMAXNNIBBS-UHFFFAOYSA-L
MW309.37 g/mol
LogP-0.16
Rot. Bonds6

About manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (PubChem CID 88755813) has the molecular formula C6H10MnN2OS4 and a molecular weight of 309.37 g/mol. Its IUPAC name is manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.

Molecular Properties

Compound Namemanganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
PubChem CID88755813
Molecular FormulaC6H10MnN2OS4
Molecular Weight309.37 g/mol
Exact Mass308.91
IUPAC Namemanganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[Mn+2]
InChIInChI=1S/C6H12N2OS4.Mn/c10-5(11)7-1-3-9-4-2-8-6(12)13;/h1-4H2,(H2,7,10,11)(H2,8,12,13);/q;+2/p-2
InChIKeyZJMKCMAXNNIBBS-UHFFFAOYSA-L
XLogP-0.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The IUPAC name of manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (CID 88755813) is manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.
What is the SMILES notation for manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The canonical SMILES for manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is S=C([S-])NCCOCCNC(=S)[S-].[Mn+2].
What is the InChIKey of manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The InChIKey is ZJMKCMAXNNIBBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12N2OS4.Mn/c10-5(11)7-1-3-9-4-2-8-6(12)13;/h1-4H2,(H2,7,10,11)(H2,8,12,13);/q;+2/p-2.
What are the key properties of manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate has a molecular weight of 309.37 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is sourced from PubChem (CID 88755813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).