N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine

C6H9NS — CID 142031514

IUPACN-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine
SMILESC=CS/C(C)=C/N=C
InChIInChI=1S/C6H9NS/c1-4-8-6(2)5-7-3/h4-5H,1,3H2,2H3/b6-5+
InChIKeyXGQIDBDVZPZEAJ-AATRIKPKSA-N
MW127.21 g/mol
LogP2.42
Rot. Bonds3

About N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine

N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine (PubChem CID 142031514) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine
PubChem CID142031514
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC NameN-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine
SMILESC=CS/C(C)=C/N=C
InChIInChI=1S/C6H9NS/c1-4-8-6(2)5-7-3/h4-5H,1,3H2,2H3/b6-5+
InChIKeyXGQIDBDVZPZEAJ-AATRIKPKSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine?
The IUPAC name of N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine (CID 142031514) is N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine.
What is the SMILES notation for N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine?
The canonical SMILES for N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine is C=CS/C(C)=C/N=C.
What is the InChIKey of N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine?
The InChIKey is XGQIDBDVZPZEAJ-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9NS/c1-4-8-6(2)5-7-3/h4-5H,1,3H2,2H3/b6-5+.
What are the key properties of N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine?
N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine has a molecular weight of 127.21 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethenylsulfanylprop-1-enyl]methanimine is sourced from PubChem (CID 142031514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).