ethenyl N-ethenylethanimidothioate

C6H9NS — CID 123242748

IUPACethenyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC=C
InChIInChI=1S/C6H9NS/c1-4-7-6(3)8-5-2/h4-5H,1-2H2,3H3/b7-6+
InChIKeyJLJWVHSQHBCLCE-VOTSOKGWSA-N
MW127.21 g/mol
LogP2.42
Rot. Bonds2

About ethenyl N-ethenylethanimidothioate

ethenyl N-ethenylethanimidothioate (PubChem CID 123242748) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is ethenyl N-ethenylethanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethenylethanimidothioate
PubChem CID123242748
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Nameethenyl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC=C
InChIInChI=1S/C6H9NS/c1-4-7-6(3)8-5-2/h4-5H,1-2H2,3H3/b7-6+
InChIKeyJLJWVHSQHBCLCE-VOTSOKGWSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.42
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-ethenylethanimidothioate?
The IUPAC name of ethenyl N-ethenylethanimidothioate (CID 123242748) is ethenyl N-ethenylethanimidothioate.
What is the SMILES notation for ethenyl N-ethenylethanimidothioate?
The canonical SMILES for ethenyl N-ethenylethanimidothioate is C=C/N=C(\C)SC=C.
What is the InChIKey of ethenyl N-ethenylethanimidothioate?
The InChIKey is JLJWVHSQHBCLCE-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H9NS/c1-4-7-6(3)8-5-2/h4-5H,1-2H2,3H3/b7-6+.
What are the key properties of ethenyl N-ethenylethanimidothioate?
ethenyl N-ethenylethanimidothioate has a molecular weight of 127.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenylethanimidothioate is sourced from PubChem (CID 123242748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).