ethenyl N-ethenyl-2-methylpropanimidothioate

C8H13NS — CID 123500897

IUPACethenyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SC=C)C(C)C
InChIInChI=1S/C8H13NS/c1-5-9-8(7(3)4)10-6-2/h5-7H,1-2H2,3-4H3/b9-8-
InChIKeyJZEHJWXIXUVGIK-HJWRWDBZSA-N
MW155.27 g/mol
LogP3.06
Rot. Bonds3

About ethenyl N-ethenyl-2-methylpropanimidothioate

ethenyl N-ethenyl-2-methylpropanimidothioate (PubChem CID 123500897) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is ethenyl N-ethenyl-2-methylpropanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethenyl-2-methylpropanimidothioate
PubChem CID123500897
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Nameethenyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SC=C)C(C)C
InChIInChI=1S/C8H13NS/c1-5-9-8(7(3)4)10-6-2/h5-7H,1-2H2,3-4H3/b9-8-
InChIKeyJZEHJWXIXUVGIK-HJWRWDBZSA-N
XLogP3.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 53.06
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-ethenyl-2-methylpropanimidothioate?
The IUPAC name of ethenyl N-ethenyl-2-methylpropanimidothioate (CID 123500897) is ethenyl N-ethenyl-2-methylpropanimidothioate.
What is the SMILES notation for ethenyl N-ethenyl-2-methylpropanimidothioate?
The canonical SMILES for ethenyl N-ethenyl-2-methylpropanimidothioate is C=C/N=C(\SC=C)C(C)C.
What is the InChIKey of ethenyl N-ethenyl-2-methylpropanimidothioate?
The InChIKey is JZEHJWXIXUVGIK-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H13NS/c1-5-9-8(7(3)4)10-6-2/h5-7H,1-2H2,3-4H3/b9-8-.
What are the key properties of ethenyl N-ethenyl-2-methylpropanimidothioate?
ethenyl N-ethenyl-2-methylpropanimidothioate has a molecular weight of 155.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl N-ethenyl-2-methylpropanimidothioate is sourced from PubChem (CID 123500897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).