zinc bis(N-(2-ethenoxyethyl)carbamodithioate)

C10H16N2O2S4Zn — CID 14441011

IUPACzinc bis(N-(2-ethenoxyethyl)carbamodithioate)
SMILESC=COCCNC(=S)[S-].C=COCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/2C5H9NOS2.Zn/c2*1-2-7-4-3-6-5(8)9;/h2*2H,1,3-4H2,(H2,6,8,9);/q;;+2/p-2
InChIKeyPEDMCIJHVORARS-UHFFFAOYSA-L
MW389.91 g/mol
LogP1.13
Rot. Bonds8

About zinc bis(N-(2-ethenoxyethyl)carbamodithioate)

zinc bis(N-(2-ethenoxyethyl)carbamodithioate) (PubChem CID 14441011) has the molecular formula C10H16N2O2S4Zn and a molecular weight of 389.91 g/mol. Its IUPAC name is zinc bis(N-(2-ethenoxyethyl)carbamodithioate).

Molecular Properties

Compound Namezinc bis(N-(2-ethenoxyethyl)carbamodithioate)
PubChem CID14441011
Molecular FormulaC10H16N2O2S4Zn
Molecular Weight389.91 g/mol
Exact Mass387.94
IUPAC Namezinc bis(N-(2-ethenoxyethyl)carbamodithioate)
SMILESC=COCCNC(=S)[S-].C=COCCNC(=S)[S-].[Zn+2]
InChIInChI=1S/2C5H9NOS2.Zn/c2*1-2-7-4-3-6-5(8)9;/h2*2H,1,3-4H2,(H2,6,8,9);/q;;+2/p-2
InChIKeyPEDMCIJHVORARS-UHFFFAOYSA-L
XLogP1.13
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 bis(N-(2-ethenoxyethyl)carbamodithioate)?
The IUPAC name of zinc bis(N-(2-ethenoxyethyl)carbamodithioate) (CID 14441011) is zinc bis(N-(2-ethenoxyethyl)carbamodithioate).
What is the SMILES notation for zinc bis(N-(2-ethenoxyethyl)carbamodithioate)?
The canonical SMILES for zinc bis(N-(2-ethenoxyethyl)carbamodithioate) is C=COCCNC(=S)[S-].C=COCCNC(=S)[S-].[Zn+2].
What is the InChIKey of zinc bis(N-(2-ethenoxyethyl)carbamodithioate)?
The InChIKey is PEDMCIJHVORARS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H9NOS2.Zn/c2*1-2-7-4-3-6-5(8)9;/h2*2H,1,3-4H2,(H2,6,8,9);/q;;+2/p-2.
What are the key properties of zinc bis(N-(2-ethenoxyethyl)carbamodithioate)?
zinc bis(N-(2-ethenoxyethyl)carbamodithioate) has a molecular weight of 389.91 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(N-(2-ethenoxyethyl)carbamodithioate) is sourced from PubChem (CID 14441011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).