[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine

C13H22N2OS — CID 105225417

IUPAC[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
SMILESCCSCC(NN)c1cccc(OC(C)C)c1
InChIInChI=1S/C13H22N2OS/c1-4-17-9-13(15-14)11-6-5-7-12(8-11)16-10(2)3/h5-8,10,13,15H,4,9,14H2,1-3H3
InChIKeyWALJRDHYDUCIPC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.73
Rot. Bonds7

About [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine

[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine (PubChem CID 105225417) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
PubChem CID105225417
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
SMILESCCSCC(NN)c1cccc(OC(C)C)c1
InChIInChI=1S/C13H22N2OS/c1-4-17-9-13(15-14)11-6-5-7-12(8-11)16-10(2)3/h5-8,10,13,15H,4,9,14H2,1-3H3
InChIKeyWALJRDHYDUCIPC-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
1-(3-propan-2-yloxyphenyl)nonylhydrazine
CID 105294357
[2-cyclopropyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105254134
[1-(3-ethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105225968
[3-phenyl-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 105205731
[2-(4-iodophenyl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105310242
(2-ethylsulfanyl-1-pyridin-3-ylethyl)hydrazine
CID 105225478
[2-(oxolan-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105198673
[3-(2,2-difluoroethoxy)-1-(3-propan-2-yloxyphenyl)propyl]hydrazine
CID 103151840
[1-(3,4-difluorophenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225349
[2-(5-chlorothiophen-2-yl)-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine
CID 105295886
[1-(3-propan-2-yloxyphenyl)-3-pyridin-3-ylpropyl]hydrazine
CID 105326477

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine?
The IUPAC name of [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine (CID 105225417) is [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine?
The canonical SMILES for [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine is CCSCC(NN)c1cccc(OC(C)C)c1.
What is the InChIKey of [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine?
The InChIKey is WALJRDHYDUCIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-17-9-13(15-14)11-6-5-7-12(8-11)16-10(2)3/h5-8,10,13,15H,4,9,14H2,1-3H3.
What are the key properties of [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine?
[2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine has a molecular weight of 254.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-1-(3-propan-2-yloxyphenyl)ethyl]hydrazine is sourced from PubChem (CID 105225417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).