zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide

C5H15IO3SZn — CID 174703951

IUPACzinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide
SMILESCCCC(=O)O.I.O.[CH3-].[SH-].[Zn+2]
InChIInChI=1S/C4H8O2.CH3.HI.H2O.H2S.Zn/c1-2-3-4(5)6;;;;;/h2-3H2,1H3,(H,5,6);1H3;1H;2*1H2;/q;-1;;;;+2/p-1
InChIKeyNWBPNSLIXITUIN-UHFFFAOYSA-M
MW347.53 g/mol
LogP0.84
Rot. Bonds2

About zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide

zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide (PubChem CID 174703951) has the molecular formula C5H15IO3SZn and a molecular weight of 347.53 g/mol. Its IUPAC name is zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide.

Molecular Properties

Compound Namezinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide
PubChem CID174703951
Molecular FormulaC5H15IO3SZn
Molecular Weight347.53 g/mol
Exact Mass345.91
IUPAC Namezinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide
SMILESCCCC(=O)O.I.O.[CH3-].[SH-].[Zn+2]
InChIInChI=1S/C4H8O2.CH3.HI.H2O.H2S.Zn/c1-2-3-4(5)6;;;;;/h2-3H2,1H3,(H,5,6);1H3;1H;2*1H2;/q;-1;;;;+2/p-1
InChIKeyNWBPNSLIXITUIN-UHFFFAOYSA-M
XLogP0.84
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

azane;butanoic acid;methanol;hydrate
CID 173179721
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;dihydrochloride
CID 173423767
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;mercury
CID 87059277
butanoic acid;zirconium
CID 87090666
CID 88693438
CID 88693438
CID 87208956
CID 87208956

Frequently Asked Questions

What is the IUPAC name of zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide?
The IUPAC name of zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide (CID 174703951) is zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide.
What is the SMILES notation for zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide?
The canonical SMILES for zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide is CCCC(=O)O.I.O.[CH3-].[SH-].[Zn+2].
What is the InChIKey of zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide?
The InChIKey is NWBPNSLIXITUIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O2.CH3.HI.H2O.H2S.Zn/c1-2-3-4(5)6;;;;;/h2-3H2,1H3,(H,5,6);1H3;1H;2*1H2;/q;-1;;;;+2/p-1.
What are the key properties of zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide?
zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide has a molecular weight of 347.53 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;butanoic acid;carbanide;sulfanide;hydrate;hydroiodide is sourced from PubChem (CID 174703951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).