1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine

C13H20N2S — CID 106850536

IUPAC1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ccc(SCC)cc1
InChIInChI=1S/C13H20N2S/c1-3-5-6-13(15-14)11-7-9-12(10-8-11)16-4-2/h3,7-10,13,15H,1,4-6,14H2,2H3
InChIKeyYLAIZWSBTQUMMD-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.27
Rot. Bonds7

About 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine

1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine (PubChem CID 106850536) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine
PubChem CID106850536
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ccc(SCC)cc1
InChIInChI=1S/C13H20N2S/c1-3-5-6-13(15-14)11-7-9-12(10-8-11)16-4-2/h3,7-10,13,15H,1,4-6,14H2,2H3
InChIKeyYLAIZWSBTQUMMD-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylsulfanylphenyl)pent-4-en-1-amine
CID 106848528
1-pyridin-4-ylpent-4-enylhydrazine
CID 105196473
[1-(4-ethylsulfanylphenyl)-4-phenylbutyl]hydrazine
CID 106850605
[2-(4-ethylphenyl)-1-(4-ethylsulfanylphenyl)ethyl]hydrazine
CID 106850564
1-(4-chloro-3-methylphenyl)pent-4-enylhydrazine
CID 105311524
1-(4-ethylphenyl)oct-7-enylhydrazine
CID 107012388
(1S)-1-(4-ethylsulfanylphenyl)prop-2-en-1-amine
CID 171235699
[4-methyl-1-(4-methylsulfanylphenyl)pentyl]hydrazine
CID 105294254
1-(4-fluoro-3-methoxyphenyl)pent-4-enylhydrazine
CID 105311539
1-(3-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105218132
1-(3-bromo-4-fluorophenyl)pent-4-enylhydrazine
CID 105264095
1-(3-iodophenyl)pent-4-enylhydrazine
CID 105311465

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine (CID 106850536) is 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine is C=CCCC(NN)c1ccc(SCC)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine?
The InChIKey is YLAIZWSBTQUMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-3-5-6-13(15-14)11-7-9-12(10-8-11)16-4-2/h3,7-10,13,15H,1,4-6,14H2,2H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine?
1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine has a molecular weight of 236.38 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)pent-4-enylhydrazine is sourced from PubChem (CID 106850536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).