ethenyl N-ethenylpropanimidothioate

C7H11NS — CID 134340395

IUPACethenyl N-ethenylpropanimidothioate
SMILESC=C/N=C(\CC)SC=C
InChIInChI=1S/C7H11NS/c1-4-7(8-5-2)9-6-3/h5-6H,2-4H2,1H3/b8-7+
InChIKeyGLFOIBCDOGYSQA-BQYQJAHWSA-N
MW141.24 g/mol
LogP2.82
Rot. Bonds3

About ethenyl N-ethenylpropanimidothioate

ethenyl N-ethenylpropanimidothioate (PubChem CID 134340395) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is ethenyl N-ethenylpropanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethenylpropanimidothioate
PubChem CID134340395
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Nameethenyl N-ethenylpropanimidothioate
SMILESC=C/N=C(\CC)SC=C
InChIInChI=1S/C7H11NS/c1-4-7(8-5-2)9-6-3/h5-6H,2-4H2,1H3/b8-7+
InChIKeyGLFOIBCDOGYSQA-BQYQJAHWSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-ethenylpropanimidothioate?
The IUPAC name of ethenyl N-ethenylpropanimidothioate (CID 134340395) is ethenyl N-ethenylpropanimidothioate.
What is the SMILES notation for ethenyl N-ethenylpropanimidothioate?
The canonical SMILES for ethenyl N-ethenylpropanimidothioate is C=C/N=C(\CC)SC=C.
What is the InChIKey of ethenyl N-ethenylpropanimidothioate?
The InChIKey is GLFOIBCDOGYSQA-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-7(8-5-2)9-6-3/h5-6H,2-4H2,1H3/b8-7+.
What are the key properties of ethenyl N-ethenylpropanimidothioate?
ethenyl N-ethenylpropanimidothioate has a molecular weight of 141.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenylpropanimidothioate is sourced from PubChem (CID 134340395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).