zinc bis(2-ethylsulfanylpropanoate)

C10H18O4S2Zn — CID 87181649

IUPACzinc bis(2-ethylsulfanylpropanoate)
SMILESCCSC(C)C(=O)[O-].CCSC(C)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C5H10O2S.Zn/c2*1-3-8-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyHNTNQIFOBIVMQM-UHFFFAOYSA-L
MW331.77 g/mol
LogP-0.25
Rot. Bonds6

About zinc bis(2-ethylsulfanylpropanoate)

zinc bis(2-ethylsulfanylpropanoate) (PubChem CID 87181649) has the molecular formula C10H18O4S2Zn and a molecular weight of 331.77 g/mol. Its IUPAC name is zinc bis(2-ethylsulfanylpropanoate).

Molecular Properties

Compound Namezinc bis(2-ethylsulfanylpropanoate)
PubChem CID87181649
Molecular FormulaC10H18O4S2Zn
Molecular Weight331.77 g/mol
Exact Mass329.99
IUPAC Namezinc bis(2-ethylsulfanylpropanoate)
SMILESCCSC(C)C(=O)[O-].CCSC(C)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C5H10O2S.Zn/c2*1-3-8-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKeyHNTNQIFOBIVMQM-UHFFFAOYSA-L
XLogP-0.25
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(aziridin-1-ylmethylsulfanyl)propanoate
CID 57373574
disodium;2-(1-carboxylatoethylsulfanyl)propanoate
CID 19787423
sodium 2-ethylsulfanylpentanoate
CID 24840937
potassium 2-methylsulfanylpropanoate
CID 88802261
bismuth tris(2-(6-methylheptylsulfanyl)propanoate)
CID 158810509
bismuth tris(2-(8-methylnonylsulfanyl)propanoate)
CID 159996734
2-ethylsulfanyl-N-(methylaminomethyl)propanamide
CID 144683184
2-(1-carboxylatoethylsulfanyl)propanoate;dioctyltin(2+)
CID 21117141
tris(2-methylsulfanylpropanoate);methyltin(3+)
CID 162043920
2-methylbutanoate
CID 91073357
(2R)-2-methylhexanoate
CID 6999857
potassium;zinc;tris(2-hydroxypropanoate)
CID 86746346

Frequently Asked Questions

What is the IUPAC name of zinc bis(2-ethylsulfanylpropanoate)?
The IUPAC name of zinc bis(2-ethylsulfanylpropanoate) (CID 87181649) is zinc bis(2-ethylsulfanylpropanoate).
What is the SMILES notation for zinc bis(2-ethylsulfanylpropanoate)?
The canonical SMILES for zinc bis(2-ethylsulfanylpropanoate) is CCSC(C)C(=O)[O-].CCSC(C)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc bis(2-ethylsulfanylpropanoate)?
The InChIKey is HNTNQIFOBIVMQM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H10O2S.Zn/c2*1-3-8-4(2)5(6)7;/h2*4H,3H2,1-2H3,(H,6,7);/q;;+2/p-2.
What are the key properties of zinc bis(2-ethylsulfanylpropanoate)?
zinc bis(2-ethylsulfanylpropanoate) has a molecular weight of 331.77 g/mol, XLogP of -0.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc bis(2-ethylsulfanylpropanoate) is sourced from PubChem (CID 87181649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).