zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)

C14H26O4S2Zn — CID 156674382

IUPACzinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)
SMILESC=CCOCCOCC[S-].C=CCOCCOCC[S-].[Zn+2]
InChIInChI=1S/2C7H14O2S.Zn/c2*1-2-3-8-4-5-9-6-7-10;/h2*2,10H,1,3-7H2;/q;;+2/p-2
InChIKeyKDHORVZEMUDHBN-UHFFFAOYSA-L
MW387.88 g/mol
LogP1.50
Rot. Bonds14

About zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)

zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate) (PubChem CID 156674382) has the molecular formula C14H26O4S2Zn and a molecular weight of 387.88 g/mol. Its IUPAC name is zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate).

Molecular Properties

Compound Namezinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)
PubChem CID156674382
Molecular FormulaC14H26O4S2Zn
Molecular Weight387.88 g/mol
Exact Mass386.06
IUPAC Namezinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)
SMILESC=CCOCCOCC[S-].C=CCOCCOCC[S-].[Zn+2]
InChIInChI=1S/2C7H14O2S.Zn/c2*1-2-3-8-4-5-9-6-7-10;/h2*2,10H,1,3-7H2;/q;;+2/p-2
InChIKeyKDHORVZEMUDHBN-UHFFFAOYSA-L
XLogP1.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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(2-(2-prop-2-enoxyethoxy)ethanethiolate)?
The IUPAC name of zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate) (CID 156674382) is zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate).
What is the SMILES notation for zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)?
The canonical SMILES for zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate) is C=CCOCCOCC[S-].C=CCOCCOCC[S-].[Zn+2].
What is the InChIKey of zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)?
The InChIKey is KDHORVZEMUDHBN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H14O2S.Zn/c2*1-2-3-8-4-5-9-6-7-10;/h2*2,10H,1,3-7H2;/q;;+2/p-2.
What are the key properties of zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate)?
zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate) has a molecular weight of 387.88 g/mol, XLogP of 1.50, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-(2-prop-2-enoxyethoxy)ethanethiolate) is sourced from PubChem (CID 156674382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).