2-ethenylsulfanyl-N-methylethanimine

C5H9NS — CID 123598447

IUPAC2-ethenylsulfanyl-N-methylethanimine
SMILESC=CSC/C=N/C
InChIInChI=1S/C5H9NS/c1-3-7-5-4-6-2/h3-4H,1,5H2,2H3/b6-4+
InChIKeyIQMNIMUWENVKFO-GQCTYLIASA-N
MW115.20 g/mol
LogP1.56
Rot. Bonds3

About 2-ethenylsulfanyl-N-methylethanimine

2-ethenylsulfanyl-N-methylethanimine (PubChem CID 123598447) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-ethenylsulfanyl-N-methylethanimine.

Molecular Properties

Compound Name2-ethenylsulfanyl-N-methylethanimine
PubChem CID123598447
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-ethenylsulfanyl-N-methylethanimine
SMILESC=CSC/C=N/C
InChIInChI=1S/C5H9NS/c1-3-7-5-4-6-2/h3-4H,1,5H2,2H3/b6-4+
InChIKeyIQMNIMUWENVKFO-GQCTYLIASA-N
XLogP1.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanyl-N-methylethanimine?
The IUPAC name of 2-ethenylsulfanyl-N-methylethanimine (CID 123598447) is 2-ethenylsulfanyl-N-methylethanimine.
What is the SMILES notation for 2-ethenylsulfanyl-N-methylethanimine?
The canonical SMILES for 2-ethenylsulfanyl-N-methylethanimine is C=CSC/C=N/C.
What is the InChIKey of 2-ethenylsulfanyl-N-methylethanimine?
The InChIKey is IQMNIMUWENVKFO-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NS/c1-3-7-5-4-6-2/h3-4H,1,5H2,2H3/b6-4+.
What are the key properties of 2-ethenylsulfanyl-N-methylethanimine?
2-ethenylsulfanyl-N-methylethanimine has a molecular weight of 115.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanyl-N-methylethanimine is sourced from PubChem (CID 123598447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).