zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

C6H10N2OS4Zn — CID 88755374

IUPACzinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/C6H12N2OS4.Zn/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
InChIKeyWOOUBWFRTKBYMT-UHFFFAOYSA-L
MW319.82 g/mol
LogP-0.16
Rot. Bonds6

About zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate

zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (PubChem CID 88755374) has the molecular formula C6H10N2OS4Zn and a molecular weight of 319.82 g/mol. Its IUPAC name is zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.

Molecular Properties

Compound Namezinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
PubChem CID88755374
Molecular FormulaC6H10N2OS4Zn
Molecular Weight319.82 g/mol
Exact Mass317.90
IUPAC Namezinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate
SMILESS=C([S-])NCCOCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/C6H12N2OS4.Zn/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
InChIKeyWOOUBWFRTKBYMT-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 ≤ 500319.82
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': 'heavy_metal', '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 zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The IUPAC name of zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate (CID 88755374) is zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate.
What is the SMILES notation for zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The canonical SMILES for zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is S=C([S-])NCCOCCNC(=S)[S-].[Zn+2].
What is the InChIKey of zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
The InChIKey is WOOUBWFRTKBYMT-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H12N2OS4.Zn/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 zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate?
zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate has a molecular weight of 319.82 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 zinc N-[2-[2-(sulfidocarbothioylamino)ethoxy]ethyl]carbamodithioate is sourced from PubChem (CID 88755374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).