(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine

C7H11NS — CID 126524045

IUPAC(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)SC
InChIInChI=1S/C7H11NS/c1-4-7(9-3)6-8-5-2/h4-6H,2H2,1,3H3/b7-4+,8-6+
InChIKeyKDHVYQKJUFVPGQ-IJYBVRAASA-N
MW141.24 g/mol
LogP2.47
Rot. Bonds3

About (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine

(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine (PubChem CID 126524045) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine
PubChem CID126524045
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine
SMILESC=C/N=C/C(=C\C)SC
InChIInChI=1S/C7H11NS/c1-4-7(9-3)6-8-5-2/h4-6H,2H2,1,3H3/b7-4+,8-6+
InChIKeyKDHVYQKJUFVPGQ-IJYBVRAASA-N
XLogP2.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 52.47
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 (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine?
The IUPAC name of (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine (CID 126524045) is (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine?
The canonical SMILES for (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine is C=C/N=C/C(=C\C)SC.
What is the InChIKey of (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine?
The InChIKey is KDHVYQKJUFVPGQ-IJYBVRAASA-N. The full InChI is InChI=1S/C7H11NS/c1-4-7(9-3)6-8-5-2/h4-6H,2H2,1,3H3/b7-4+,8-6+.
What are the key properties of (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine?
(E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine has a molecular weight of 141.24 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-methylsulfanylbut-2-en-1-imine is sourced from PubChem (CID 126524045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).