methyl N-ethenyl-2,2-dimethylpropanimidothioate

C8H15NS — CID 123916407

IUPACmethyl N-ethenyl-2,2-dimethylpropanimidothioate
SMILESC=C/N=C(\SC)C(C)(C)C
InChIInChI=1S/C8H15NS/c1-6-9-7(10-5)8(2,3)4/h6H,1H2,2-5H3/b9-7-
InChIKeySTQZIJLEZUSOQL-CLFYSBASSA-N
MW157.28 g/mol
LogP2.94
Rot. Bonds1

About methyl N-ethenyl-2,2-dimethylpropanimidothioate

methyl N-ethenyl-2,2-dimethylpropanimidothioate (PubChem CID 123916407) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is methyl N-ethenyl-2,2-dimethylpropanimidothioate.

Molecular Properties

Compound Namemethyl N-ethenyl-2,2-dimethylpropanimidothioate
PubChem CID123916407
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Namemethyl N-ethenyl-2,2-dimethylpropanimidothioate
SMILESC=C/N=C(\SC)C(C)(C)C
InChIInChI=1S/C8H15NS/c1-6-9-7(10-5)8(2,3)4/h6H,1H2,2-5H3/b9-7-
InChIKeySTQZIJLEZUSOQL-CLFYSBASSA-N
XLogP2.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 methyl N-ethenyl-2,2-dimethylpropanimidothioate?
The IUPAC name of methyl N-ethenyl-2,2-dimethylpropanimidothioate (CID 123916407) is methyl N-ethenyl-2,2-dimethylpropanimidothioate.
What is the SMILES notation for methyl N-ethenyl-2,2-dimethylpropanimidothioate?
The canonical SMILES for methyl N-ethenyl-2,2-dimethylpropanimidothioate is C=C/N=C(\SC)C(C)(C)C.
What is the InChIKey of methyl N-ethenyl-2,2-dimethylpropanimidothioate?
The InChIKey is STQZIJLEZUSOQL-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NS/c1-6-9-7(10-5)8(2,3)4/h6H,1H2,2-5H3/b9-7-.
What are the key properties of methyl N-ethenyl-2,2-dimethylpropanimidothioate?
methyl N-ethenyl-2,2-dimethylpropanimidothioate has a molecular weight of 157.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethenyl-2,2-dimethylpropanimidothioate is sourced from PubChem (CID 123916407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).