acetamide;ethanethioamide

C4H10N2OS — CID 159993772

IUPACacetamide;ethanethioamide
SMILESCC(N)=O.CC(N)=S
InChIInChI=1S/C2H5NO.C2H5NS/c2*1-2(3)4/h2*1H3,(H2,3,4)
InChIKeyOHHAEDYPQISXEE-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.22
Rot. Bonds

About acetamide;ethanethioamide

acetamide;ethanethioamide (PubChem CID 159993772) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is acetamide;ethanethioamide.

Molecular Properties

Compound Nameacetamide;ethanethioamide
PubChem CID159993772
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Nameacetamide;ethanethioamide
SMILESCC(N)=O.CC(N)=S
InChIInChI=1S/C2H5NO.C2H5NS/c2*1-2(3)4/h2*1H3,(H2,3,4)
InChIKeyOHHAEDYPQISXEE-UHFFFAOYSA-N
XLogP-0.22
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamide;ethanethioamide?
The IUPAC name of acetamide;ethanethioamide (CID 159993772) is acetamide;ethanethioamide.
What is the SMILES notation for acetamide;ethanethioamide?
The canonical SMILES for acetamide;ethanethioamide is CC(N)=O.CC(N)=S.
What is the InChIKey of acetamide;ethanethioamide?
The InChIKey is OHHAEDYPQISXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.C2H5NS/c2*1-2(3)4/h2*1H3,(H2,3,4).
What are the key properties of acetamide;ethanethioamide?
acetamide;ethanethioamide has a molecular weight of 134.20 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;ethanethioamide is sourced from PubChem (CID 159993772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).