ethyl N-ethenylethanimidothioate

C6H11NS — CID 91438940

IUPACethyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SCC
InChIInChI=1S/C6H11NS/c1-4-7-6(3)8-5-2/h4H,1,5H2,2-3H3/b7-6+
InChIKeyRLECQLYXGFZDFR-VOTSOKGWSA-N
MW129.23 g/mol
LogP2.30
Rot. Bonds2

About ethyl N-ethenylethanimidothioate

ethyl N-ethenylethanimidothioate (PubChem CID 91438940) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is ethyl N-ethenylethanimidothioate.

Molecular Properties

Compound Nameethyl N-ethenylethanimidothioate
PubChem CID91438940
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Nameethyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SCC
InChIInChI=1S/C6H11NS/c1-4-7-6(3)8-5-2/h4H,1,5H2,2-3H3/b7-6+
InChIKeyRLECQLYXGFZDFR-VOTSOKGWSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.30
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 ethyl N-ethenylethanimidothioate?
The IUPAC name of ethyl N-ethenylethanimidothioate (CID 91438940) is ethyl N-ethenylethanimidothioate.
What is the SMILES notation for ethyl N-ethenylethanimidothioate?
The canonical SMILES for ethyl N-ethenylethanimidothioate is C=C/N=C(\C)SCC.
What is the InChIKey of ethyl N-ethenylethanimidothioate?
The InChIKey is RLECQLYXGFZDFR-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H11NS/c1-4-7-6(3)8-5-2/h4H,1,5H2,2-3H3/b7-6+.
What are the key properties of ethyl N-ethenylethanimidothioate?
ethyl N-ethenylethanimidothioate has a molecular weight of 129.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenylethanimidothioate is sourced from PubChem (CID 91438940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).