methyliminomethyliminomethyl N-ethenylmethanimidothioate

C6H9N3S — CID 156560259

IUPACmethyliminomethyliminomethyl N-ethenylmethanimidothioate
SMILESC=C/N=C/S/C=N/C=N/C
InChIInChI=1S/C6H9N3S/c1-3-8-5-10-6-9-4-7-2/h3-6H,1H2,2H3/b7-4+,8-5+,9-6+
InChIKeySKRVWMZRAHFHFS-OTWDQPKHSA-N
MW155.23 g/mol
LogP1.58
Rot. Bonds4

About methyliminomethyliminomethyl N-ethenylmethanimidothioate

methyliminomethyliminomethyl N-ethenylmethanimidothioate (PubChem CID 156560259) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is methyliminomethyliminomethyl N-ethenylmethanimidothioate.

Molecular Properties

Compound Namemethyliminomethyliminomethyl N-ethenylmethanimidothioate
PubChem CID156560259
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Namemethyliminomethyliminomethyl N-ethenylmethanimidothioate
SMILESC=C/N=C/S/C=N/C=N/C
InChIInChI=1S/C6H9N3S/c1-3-8-5-10-6-9-4-7-2/h3-6H,1H2,2H3/b7-4+,8-5+,9-6+
InChIKeySKRVWMZRAHFHFS-OTWDQPKHSA-N
XLogP1.58
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyliminomethyliminomethyl N-ethenylmethanimidothioate?
The IUPAC name of methyliminomethyliminomethyl N-ethenylmethanimidothioate (CID 156560259) is methyliminomethyliminomethyl N-ethenylmethanimidothioate.
What is the SMILES notation for methyliminomethyliminomethyl N-ethenylmethanimidothioate?
The canonical SMILES for methyliminomethyliminomethyl N-ethenylmethanimidothioate is C=C/N=C/S/C=N/C=N/C.
What is the InChIKey of methyliminomethyliminomethyl N-ethenylmethanimidothioate?
The InChIKey is SKRVWMZRAHFHFS-OTWDQPKHSA-N. The full InChI is InChI=1S/C6H9N3S/c1-3-8-5-10-6-9-4-7-2/h3-6H,1H2,2H3/b7-4+,8-5+,9-6+.
What are the key properties of methyliminomethyliminomethyl N-ethenylmethanimidothioate?
methyliminomethyliminomethyl N-ethenylmethanimidothioate has a molecular weight of 155.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyliminomethyliminomethyl N-ethenylmethanimidothioate is sourced from PubChem (CID 156560259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).