ethyl N-ethenyl-2-methylpropanimidothioate

C8H15NS — CID 155264946

IUPACethyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SCC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-9-8(7(3)4)10-6-2/h5,7H,1,6H2,2-4H3/b9-8-
InChIKeyJBRDMTRVZZBYFD-HJWRWDBZSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About ethyl N-ethenyl-2-methylpropanimidothioate

ethyl N-ethenyl-2-methylpropanimidothioate (PubChem CID 155264946) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is ethyl N-ethenyl-2-methylpropanimidothioate.

Molecular Properties

Compound Nameethyl N-ethenyl-2-methylpropanimidothioate
PubChem CID155264946
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Nameethyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SCC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-9-8(7(3)4)10-6-2/h5,7H,1,6H2,2-4H3/b9-8-
InChIKeyJBRDMTRVZZBYFD-HJWRWDBZSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.94
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-ethenyl-2-methylpropanimidothioate?
The IUPAC name of ethyl N-ethenyl-2-methylpropanimidothioate (CID 155264946) is ethyl N-ethenyl-2-methylpropanimidothioate.
What is the SMILES notation for ethyl N-ethenyl-2-methylpropanimidothioate?
The canonical SMILES for ethyl N-ethenyl-2-methylpropanimidothioate is C=C/N=C(\SCC)C(C)C.
What is the InChIKey of ethyl N-ethenyl-2-methylpropanimidothioate?
The InChIKey is JBRDMTRVZZBYFD-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-9-8(7(3)4)10-6-2/h5,7H,1,6H2,2-4H3/b9-8-.
What are the key properties of ethyl N-ethenyl-2-methylpropanimidothioate?
ethyl N-ethenyl-2-methylpropanimidothioate has a molecular weight of 157.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethenyl-2-methylpropanimidothioate is sourced from PubChem (CID 155264946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).