ethenyl N-(2-methylprop-2-enyl)methanimidothioate

C7H11NS — CID 156738457

IUPACethenyl N-(2-methylprop-2-enyl)methanimidothioate
SMILESC=CS/C=N/CC(=C)C
InChIInChI=1S/C7H11NS/c1-4-9-6-8-5-7(2)3/h4,6H,1-2,5H2,3H3/b8-6+
InChIKeyQJWBJDWCADLUFC-SOFGYWHQSA-N
MW141.24 g/mol
LogP2.47
Rot. Bonds4

About ethenyl N-(2-methylprop-2-enyl)methanimidothioate

ethenyl N-(2-methylprop-2-enyl)methanimidothioate (PubChem CID 156738457) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is ethenyl N-(2-methylprop-2-enyl)methanimidothioate.

Molecular Properties

Compound Nameethenyl N-(2-methylprop-2-enyl)methanimidothioate
PubChem CID156738457
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Nameethenyl N-(2-methylprop-2-enyl)methanimidothioate
SMILESC=CS/C=N/CC(=C)C
InChIInChI=1S/C7H11NS/c1-4-9-6-8-5-7(2)3/h4,6H,1-2,5H2,3H3/b8-6+
InChIKeyQJWBJDWCADLUFC-SOFGYWHQSA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.47
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl N-(2-methylprop-2-enyl)methanimidothioate?
The IUPAC name of ethenyl N-(2-methylprop-2-enyl)methanimidothioate (CID 156738457) is ethenyl N-(2-methylprop-2-enyl)methanimidothioate.
What is the SMILES notation for ethenyl N-(2-methylprop-2-enyl)methanimidothioate?
The canonical SMILES for ethenyl N-(2-methylprop-2-enyl)methanimidothioate is C=CS/C=N/CC(=C)C.
What is the InChIKey of ethenyl N-(2-methylprop-2-enyl)methanimidothioate?
The InChIKey is QJWBJDWCADLUFC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NS/c1-4-9-6-8-5-7(2)3/h4,6H,1-2,5H2,3H3/b8-6+.
What are the key properties of ethenyl N-(2-methylprop-2-enyl)methanimidothioate?
ethenyl N-(2-methylprop-2-enyl)methanimidothioate has a molecular weight of 141.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-(2-methylprop-2-enyl)methanimidothioate is sourced from PubChem (CID 156738457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).