azane;sulfanyl acetate

C2H7NO2S — CID 174466207

IUPACazane;sulfanyl acetate
SMILESCC(=O)OS.N
InChIInChI=1S/C2H4O2S.H3N/c1-2(3)4-5;/h5H,1H3;1H3
InChIKeyZUXCNAWFEKFFIX-UHFFFAOYSA-N
MW109.15 g/mol
LogP0.56
Rot. Bonds

About azane;sulfanyl acetate

azane;sulfanyl acetate (PubChem CID 174466207) has the molecular formula C2H7NO2S and a molecular weight of 109.15 g/mol. Its IUPAC name is azane;sulfanyl acetate.

Molecular Properties

Compound Nameazane;sulfanyl acetate
PubChem CID174466207
Molecular FormulaC2H7NO2S
Molecular Weight109.15 g/mol
Exact Mass109.02
IUPAC Nameazane;sulfanyl acetate
SMILESCC(=O)OS.N
InChIInChI=1S/C2H4O2S.H3N/c1-2(3)4-5;/h5H,1H3;1H3
InChIKeyZUXCNAWFEKFFIX-UHFFFAOYSA-N
XLogP0.56
TPSA61.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.15
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Aluminumacetate
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Frequently Asked Questions

What is the IUPAC name of azane;sulfanyl acetate?
The IUPAC name of azane;sulfanyl acetate (CID 174466207) is azane;sulfanyl acetate.
What is the SMILES notation for azane;sulfanyl acetate?
The canonical SMILES for azane;sulfanyl acetate is CC(=O)OS.N.
What is the InChIKey of azane;sulfanyl acetate?
The InChIKey is ZUXCNAWFEKFFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2S.H3N/c1-2(3)4-5;/h5H,1H3;1H3.
What are the key properties of azane;sulfanyl acetate?
azane;sulfanyl acetate has a molecular weight of 109.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfanyl acetate is sourced from PubChem (CID 174466207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).