ethanethioamide;2-sulfanylideneacetamide

C4H8N2OS2 — CID 87924059

IUPACethanethioamide;2-sulfanylideneacetamide
SMILESCC(N)=S.NC(=O)C=S
InChIInChI=1S/C2H3NOS.C2H5NS/c3-2(4)1-5;1-2(3)4/h1H,(H2,3,4);1H3,(H2,3,4)
InChIKeyBMECJGWPZRIFEY-UHFFFAOYSA-N
MW164.26 g/mol
LogP-0.24
Rot. Bonds1

About ethanethioamide;2-sulfanylideneacetamide

ethanethioamide;2-sulfanylideneacetamide (PubChem CID 87924059) has the molecular formula C4H8N2OS2 and a molecular weight of 164.26 g/mol. Its IUPAC name is ethanethioamide;2-sulfanylideneacetamide.

Molecular Properties

Compound Nameethanethioamide;2-sulfanylideneacetamide
PubChem CID87924059
Molecular FormulaC4H8N2OS2
Molecular Weight164.26 g/mol
Exact Mass164.01
IUPAC Nameethanethioamide;2-sulfanylideneacetamide
SMILESCC(N)=S.NC(=O)C=S
InChIInChI=1S/C2H3NOS.C2H5NS/c3-2(4)1-5;1-2(3)4/h1H,(H2,3,4);1H3,(H2,3,4)
InChIKeyBMECJGWPZRIFEY-UHFFFAOYSA-N
XLogP-0.24
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze ethanethioamide;2-sulfanylideneacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanethioamide;2-sulfanylideneacetamide?
The IUPAC name of ethanethioamide;2-sulfanylideneacetamide (CID 87924059) is ethanethioamide;2-sulfanylideneacetamide.
What is the SMILES notation for ethanethioamide;2-sulfanylideneacetamide?
The canonical SMILES for ethanethioamide;2-sulfanylideneacetamide is CC(N)=S.NC(=O)C=S.
What is the InChIKey of ethanethioamide;2-sulfanylideneacetamide?
The InChIKey is BMECJGWPZRIFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NOS.C2H5NS/c3-2(4)1-5;1-2(3)4/h1H,(H2,3,4);1H3,(H2,3,4).
What are the key properties of ethanethioamide;2-sulfanylideneacetamide?
ethanethioamide;2-sulfanylideneacetamide has a molecular weight of 164.26 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethioamide;2-sulfanylideneacetamide is sourced from PubChem (CID 87924059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).