zinc N-hydroxy-N,2-dimethylpropanethioamide

C5H11NOSZn+2 — CID 18981555

IUPACzinc N-hydroxy-N,2-dimethylpropanethioamide
SMILESCC(C)C(=S)N(C)O.[Zn+2]
InChIInChI=1S/C5H11NOS.Zn/c1-4(2)5(8)6(3)7;/h4,7H,1-3H3;/q;+2
InChIKeyRZMNWIPERIWVOF-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.29
Rot. Bonds1

About zinc N-hydroxy-N,2-dimethylpropanethioamide

zinc N-hydroxy-N,2-dimethylpropanethioamide (PubChem CID 18981555) has the molecular formula C5H11NOSZn+2 and a molecular weight of 198.61 g/mol. Its IUPAC name is zinc N-hydroxy-N,2-dimethylpropanethioamide.

Molecular Properties

Compound Namezinc N-hydroxy-N,2-dimethylpropanethioamide
PubChem CID18981555
Molecular FormulaC5H11NOSZn+2
Molecular Weight198.61 g/mol
Exact Mass196.98
IUPAC Namezinc N-hydroxy-N,2-dimethylpropanethioamide
SMILESCC(C)C(=S)N(C)O.[Zn+2]
InChIInChI=1S/C5H11NOS.Zn/c1-4(2)5(8)6(3)7;/h4,7H,1-3H3;/q;+2
InChIKeyRZMNWIPERIWVOF-UHFFFAOYSA-N
XLogP1.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc N-hydroxy-N,2-dimethylpropanethioamide?
The IUPAC name of zinc N-hydroxy-N,2-dimethylpropanethioamide (CID 18981555) is zinc N-hydroxy-N,2-dimethylpropanethioamide.
What is the SMILES notation for zinc N-hydroxy-N,2-dimethylpropanethioamide?
The canonical SMILES for zinc N-hydroxy-N,2-dimethylpropanethioamide is CC(C)C(=S)N(C)O.[Zn+2].
What is the InChIKey of zinc N-hydroxy-N,2-dimethylpropanethioamide?
The InChIKey is RZMNWIPERIWVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS.Zn/c1-4(2)5(8)6(3)7;/h4,7H,1-3H3;/q;+2.
What are the key properties of zinc N-hydroxy-N,2-dimethylpropanethioamide?
zinc N-hydroxy-N,2-dimethylpropanethioamide has a molecular weight of 198.61 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc N-hydroxy-N,2-dimethylpropanethioamide is sourced from PubChem (CID 18981555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).