prop-1-en-2-yl N-ethenylethanimidothioate

C7H11NS — CID 129200486

IUPACprop-1-en-2-yl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC(=C)C
InChIInChI=1S/C7H11NS/c1-5-8-7(4)9-6(2)3/h5H,1-2H2,3-4H3/b8-7+
InChIKeyRVRJOEPRQDWGRN-BQYQJAHWSA-N
MW141.24 g/mol
LogP2.82
Rot. Bonds2

About prop-1-en-2-yl N-ethenylethanimidothioate

prop-1-en-2-yl N-ethenylethanimidothioate (PubChem CID 129200486) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is prop-1-en-2-yl N-ethenylethanimidothioate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-ethenylethanimidothioate
PubChem CID129200486
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Nameprop-1-en-2-yl N-ethenylethanimidothioate
SMILESC=C/N=C(\C)SC(=C)C
InChIInChI=1S/C7H11NS/c1-5-8-7(4)9-6(2)3/h5H,1-2H2,3-4H3/b8-7+
InChIKeyRVRJOEPRQDWGRN-BQYQJAHWSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 prop-1-en-2-yl N-ethenylethanimidothioate?
The IUPAC name of prop-1-en-2-yl N-ethenylethanimidothioate (CID 129200486) is prop-1-en-2-yl N-ethenylethanimidothioate.
What is the SMILES notation for prop-1-en-2-yl N-ethenylethanimidothioate?
The canonical SMILES for prop-1-en-2-yl N-ethenylethanimidothioate is C=C/N=C(\C)SC(=C)C.
What is the InChIKey of prop-1-en-2-yl N-ethenylethanimidothioate?
The InChIKey is RVRJOEPRQDWGRN-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11NS/c1-5-8-7(4)9-6(2)3/h5H,1-2H2,3-4H3/b8-7+.
What are the key properties of prop-1-en-2-yl N-ethenylethanimidothioate?
prop-1-en-2-yl N-ethenylethanimidothioate has a molecular weight of 141.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-ethenylethanimidothioate is sourced from PubChem (CID 129200486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).