methyl N-ethenyl-2-methylbutanimidothioate

C8H15NS — CID 123808234

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

About methyl N-ethenyl-2-methylbutanimidothioate

methyl N-ethenyl-2-methylbutanimidothioate (PubChem CID 123808234) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is methyl N-ethenyl-2-methylbutanimidothioate.

Molecular Properties

Compound Namemethyl N-ethenyl-2-methylbutanimidothioate
PubChem CID123808234
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Namemethyl N-ethenyl-2-methylbutanimidothioate
SMILESC=C/N=C(\SC)C(C)CC
InChIInChI=1S/C8H15NS/c1-5-7(3)8(10-4)9-6-2/h6-7H,2,5H2,1,3-4H3/b9-8-
InChIKeyFNPXRUJNHBATAC-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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Related Compounds

methyl N-ethenyl-4,4,4-trifluoro-3-methylbutanimidothioate
CID 146581313
ethenyl N-ethyl-2-methylpropanimidothioate
CID 88884472
3-methylbutan-2-yl N-ethenylmethanimidothioate
CID 118533076
methyl N-ethenylpropanimidothioate
CID 123143732
ethenyl N-ethenyl-2-methylpropanimidothioate
CID 123500897
methyl N-ethenyl-2,2-dimethylpropanimidothioate
CID 123916407
ethenyl N-ethenyl-5-methylhexanimidothioate
CID 126713419
ethenyl N-ethenyl-2,2-dimethylpropanimidothioate
CID 130469876
ethenyl N-ethenylpropanimidothioate
CID 134340395
methyl N-ethenyl-2-methylpropanimidothioate
CID 138501837
3-methyl-N-[(Z)-2-methylsulfanylethenyl]butan-1-imine
CID 139436621
ethane;methyl N-ethenylpropanimidothioate
CID 143693013

Frequently Asked Questions

What is the IUPAC name of methyl N-ethenyl-2-methylbutanimidothioate?
The IUPAC name of methyl N-ethenyl-2-methylbutanimidothioate (CID 123808234) is methyl N-ethenyl-2-methylbutanimidothioate.
What is the SMILES notation for methyl N-ethenyl-2-methylbutanimidothioate?
The canonical SMILES for methyl N-ethenyl-2-methylbutanimidothioate is C=C/N=C(\SC)C(C)CC.
What is the InChIKey of methyl N-ethenyl-2-methylbutanimidothioate?
The InChIKey is FNPXRUJNHBATAC-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NS/c1-5-7(3)8(10-4)9-6-2/h6-7H,2,5H2,1,3-4H3/b9-8-.
What are the key properties of methyl N-ethenyl-2-methylbutanimidothioate?
methyl N-ethenyl-2-methylbutanimidothioate 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 methyl N-ethenyl-2-methylbutanimidothioate is sourced from PubChem (CID 123808234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).