methylamino N-ethenylmethanimidothioate

C4H8N2S — CID 129192244

IUPACmethylamino N-ethenylmethanimidothioate
SMILESC=C/N=C/SNC
InChIInChI=1S/C4H8N2S/c1-3-6-4-7-5-2/h3-5H,1H2,2H3/b6-4+
InChIKeyJEPJGUOGEQCNQW-GQCTYLIASA-N
MW116.19 g/mol
LogP1.03
Rot. Bonds3

About methylamino N-ethenylmethanimidothioate

methylamino N-ethenylmethanimidothioate (PubChem CID 129192244) has the molecular formula C4H8N2S and a molecular weight of 116.19 g/mol. Its IUPAC name is methylamino N-ethenylmethanimidothioate.

Molecular Properties

Compound Namemethylamino N-ethenylmethanimidothioate
PubChem CID129192244
Molecular FormulaC4H8N2S
Molecular Weight116.19 g/mol
Exact Mass116.04
IUPAC Namemethylamino N-ethenylmethanimidothioate
SMILESC=C/N=C/SNC
InChIInChI=1S/C4H8N2S/c1-3-6-4-7-5-2/h3-5H,1H2,2H3/b6-4+
InChIKeyJEPJGUOGEQCNQW-GQCTYLIASA-N
XLogP1.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino N-ethenylmethanimidothioate?
The IUPAC name of methylamino N-ethenylmethanimidothioate (CID 129192244) is methylamino N-ethenylmethanimidothioate.
What is the SMILES notation for methylamino N-ethenylmethanimidothioate?
The canonical SMILES for methylamino N-ethenylmethanimidothioate is C=C/N=C/SNC.
What is the InChIKey of methylamino N-ethenylmethanimidothioate?
The InChIKey is JEPJGUOGEQCNQW-GQCTYLIASA-N. The full InChI is InChI=1S/C4H8N2S/c1-3-6-4-7-5-2/h3-5H,1H2,2H3/b6-4+.
What are the key properties of methylamino N-ethenylmethanimidothioate?
methylamino N-ethenylmethanimidothioate has a molecular weight of 116.19 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino N-ethenylmethanimidothioate is sourced from PubChem (CID 129192244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).