ethenyl N-ethyl-2-methylpropanimidothioate

C8H15NS — CID 88884472

IUPACethenyl N-ethyl-2-methylpropanimidothioate
SMILESC=CS/C(=N\CC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-9-8(7(3)4)10-6-2/h6-7H,2,5H2,1,3-4H3/b9-8-
InChIKeyRXFOUOZLTOJGJL-HJWRWDBZSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds3

About ethenyl N-ethyl-2-methylpropanimidothioate

ethenyl N-ethyl-2-methylpropanimidothioate (PubChem CID 88884472) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is ethenyl N-ethyl-2-methylpropanimidothioate.

Molecular Properties

Compound Nameethenyl N-ethyl-2-methylpropanimidothioate
PubChem CID88884472
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Nameethenyl N-ethyl-2-methylpropanimidothioate
SMILESC=CS/C(=N\CC)C(C)C
InChIInChI=1S/C8H15NS/c1-5-9-8(7(3)4)10-6-2/h6-7H,2,5H2,1,3-4H3/b9-8-
InChIKeyRXFOUOZLTOJGJL-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 ethenyl N-ethyl-2-methylpropanimidothioate?
The IUPAC name of ethenyl N-ethyl-2-methylpropanimidothioate (CID 88884472) is ethenyl N-ethyl-2-methylpropanimidothioate.
What is the SMILES notation for ethenyl N-ethyl-2-methylpropanimidothioate?
The canonical SMILES for ethenyl N-ethyl-2-methylpropanimidothioate is C=CS/C(=N\CC)C(C)C.
What is the InChIKey of ethenyl N-ethyl-2-methylpropanimidothioate?
The InChIKey is RXFOUOZLTOJGJL-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-9-8(7(3)4)10-6-2/h6-7H,2,5H2,1,3-4H3/b9-8-.
What are the key properties of ethenyl N-ethyl-2-methylpropanimidothioate?
ethenyl N-ethyl-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 ethenyl N-ethyl-2-methylpropanimidothioate is sourced from PubChem (CID 88884472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).