methyl N-ethenyl-2-methylpropanimidothioate

C7H13NS — CID 138501837

IUPACmethyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SC)C(C)C
InChIInChI=1S/C7H13NS/c1-5-8-7(9-4)6(2)3/h5-6H,1H2,2-4H3/b8-7-
InChIKeySUBIMVIESDPJSP-FPLPWBNLSA-N
MW143.25 g/mol
LogP2.55
Rot. Bonds2

About methyl N-ethenyl-2-methylpropanimidothioate

methyl N-ethenyl-2-methylpropanimidothioate (PubChem CID 138501837) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is methyl N-ethenyl-2-methylpropanimidothioate.

Molecular Properties

Compound Namemethyl N-ethenyl-2-methylpropanimidothioate
PubChem CID138501837
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Namemethyl N-ethenyl-2-methylpropanimidothioate
SMILESC=C/N=C(\SC)C(C)C
InChIInChI=1S/C7H13NS/c1-5-8-7(9-4)6(2)3/h5-6H,1H2,2-4H3/b8-7-
InChIKeySUBIMVIESDPJSP-FPLPWBNLSA-N
XLogP2.55
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.55
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-methylpropanimidothioate?
The IUPAC name of methyl N-ethenyl-2-methylpropanimidothioate (CID 138501837) is methyl N-ethenyl-2-methylpropanimidothioate.
What is the SMILES notation for methyl N-ethenyl-2-methylpropanimidothioate?
The canonical SMILES for methyl N-ethenyl-2-methylpropanimidothioate is C=C/N=C(\SC)C(C)C.
What is the InChIKey of methyl N-ethenyl-2-methylpropanimidothioate?
The InChIKey is SUBIMVIESDPJSP-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H13NS/c1-5-8-7(9-4)6(2)3/h5-6H,1H2,2-4H3/b8-7-.
What are the key properties of methyl N-ethenyl-2-methylpropanimidothioate?
methyl N-ethenyl-2-methylpropanimidothioate has a molecular weight of 143.25 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethenyl-2-methylpropanimidothioate is sourced from PubChem (CID 138501837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).