acetic acid;sulfane;zinc

C2H6O2SZn — CID 175305770

IUPACacetic acid;sulfane;zinc
SMILESCC(=O)O.S.[Zn]
InChIInChI=1S/C2H4O2.H2S.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2;
InChIKeyCOBPIKVKAFJUPY-UHFFFAOYSA-N
MW159.52 g/mol
LogP0.20
Rot. Bonds

About acetic acid;sulfane;zinc

acetic acid;sulfane;zinc (PubChem CID 175305770) has the molecular formula C2H6O2SZn and a molecular weight of 159.52 g/mol. Its IUPAC name is acetic acid;sulfane;zinc.

Molecular Properties

Compound Nameacetic acid;sulfane;zinc
PubChem CID175305770
Molecular FormulaC2H6O2SZn
Molecular Weight159.52 g/mol
Exact Mass157.94
IUPAC Nameacetic acid;sulfane;zinc
SMILESCC(=O)O.S.[Zn]
InChIInChI=1S/C2H4O2.H2S.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2;
InChIKeyCOBPIKVKAFJUPY-UHFFFAOYSA-N
XLogP0.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.52
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174107253
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CID 87063833
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CID 157418112

Frequently Asked Questions

What is the IUPAC name of acetic acid;sulfane;zinc?
The IUPAC name of acetic acid;sulfane;zinc (CID 175305770) is acetic acid;sulfane;zinc.
What is the SMILES notation for acetic acid;sulfane;zinc?
The canonical SMILES for acetic acid;sulfane;zinc is CC(=O)O.S.[Zn].
What is the InChIKey of acetic acid;sulfane;zinc?
The InChIKey is COBPIKVKAFJUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.H2S.Zn/c1-2(3)4;;/h1H3,(H,3,4);1H2;.
What are the key properties of acetic acid;sulfane;zinc?
acetic acid;sulfane;zinc has a molecular weight of 159.52 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;sulfane;zinc is sourced from PubChem (CID 175305770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).