[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine

C13H22N2S — CID 105225597

IUPAC[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1cccc(CC)c1
InChIInChI=1S/C13H22N2S/c1-3-8-16-10-13(15-14)12-7-5-6-11(4-2)9-12/h5-7,9,13,15H,3-4,8,10,14H2,1-2H3
InChIKeyAFLMTTKWUIDXHX-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.90
Rot. Bonds7

About [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine

[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine (PubChem CID 105225597) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
PubChem CID105225597
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine
SMILESCCCSCC(NN)c1cccc(CC)c1
InChIInChI=1S/C13H22N2S/c1-3-8-16-10-13(15-14)12-7-5-6-11(4-2)9-12/h5-7,9,13,15H,3-4,8,10,14H2,1-2H3
InChIKeyAFLMTTKWUIDXHX-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(3-propylphenyl)-2-propylsulfanylethanamine
CID 116544428
[2-cyclohexylsulfanyl-1-(3-ethylphenyl)ethyl]hydrazine
CID 105227705
[1-(3-ethylphenyl)-2-methylsulfonylethyl]hydrazine
CID 105326383
[2-cyclopropyl-1-(3-ethylphenyl)ethyl]hydrazine
CID 105253991
[4-chloro-1-(3-ethylphenyl)butyl]hydrazine
CID 105235498
[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225838
[1-(3-ethylphenyl)-4-methoxypentyl]hydrazine
CID 105326321
[2-(4-methylphenyl)sulfanyl-1-(3-propylphenyl)ethyl]hydrazine
CID 105237001
[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
[2-(2-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethyl]hydrazine
CID 105237723
[1-(3-ethylphenyl)-2-(thian-4-yl)ethyl]hydrazine
CID 105326402
[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105225417

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine?
The IUPAC name of [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine (CID 105225597) is [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine is CCCSCC(NN)c1cccc(CC)c1.
What is the InChIKey of [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine?
The InChIKey is AFLMTTKWUIDXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-8-16-10-13(15-14)12-7-5-6-11(4-2)9-12/h5-7,9,13,15H,3-4,8,10,14H2,1-2H3.
What are the key properties of [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine?
[1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine has a molecular weight of 238.40 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylphenyl)-2-propylsulfanylethyl]hydrazine is sourced from PubChem (CID 105225597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).