N-ethenylsulfanylprop-2-en-1-imine

C5H7NS — CID 123442524

IUPACN-ethenylsulfanylprop-2-en-1-imine
SMILESC=CC=NSC=C
InChIInChI=1S/C5H7NS/c1-3-5-6-7-4-2/h3-5H,1-2H2
InChIKeyFEJUAWOQCQEZHJ-UHFFFAOYSA-N
MW113.18 g/mol
LogP2.03
Rot. Bonds3

About N-ethenylsulfanylprop-2-en-1-imine

N-ethenylsulfanylprop-2-en-1-imine (PubChem CID 123442524) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is N-ethenylsulfanylprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenylsulfanylprop-2-en-1-imine
PubChem CID123442524
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC NameN-ethenylsulfanylprop-2-en-1-imine
SMILESC=CC=NSC=C
InChIInChI=1S/C5H7NS/c1-3-5-6-7-4-2/h3-5H,1-2H2
InChIKeyFEJUAWOQCQEZHJ-UHFFFAOYSA-N
XLogP2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-ethenylsulfanylprop-2-en-1-imine?
The IUPAC name of N-ethenylsulfanylprop-2-en-1-imine (CID 123442524) is N-ethenylsulfanylprop-2-en-1-imine.
What is the SMILES notation for N-ethenylsulfanylprop-2-en-1-imine?
The canonical SMILES for N-ethenylsulfanylprop-2-en-1-imine is C=CC=NSC=C.
What is the InChIKey of N-ethenylsulfanylprop-2-en-1-imine?
The InChIKey is FEJUAWOQCQEZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-3-5-6-7-4-2/h3-5H,1-2H2.
What are the key properties of N-ethenylsulfanylprop-2-en-1-imine?
N-ethenylsulfanylprop-2-en-1-imine has a molecular weight of 113.18 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfanylprop-2-en-1-imine is sourced from PubChem (CID 123442524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).