[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine

C13H22N2O2S — CID 105226182

IUPAC[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCOc1ccc(OC)c(C(CSC(C)C)NN)c1
InChIInChI=1S/C13H22N2O2S/c1-9(2)18-8-12(15-14)11-7-10(16-3)5-6-13(11)17-4/h5-7,9,12,15H,8,14H2,1-4H3
InChIKeyHOSJQSXGBVNKSH-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.35
Rot. Bonds7

About [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine

[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine (PubChem CID 105226182) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
PubChem CID105226182
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
SMILESCOc1ccc(OC)c(C(CSC(C)C)NN)c1
InChIInChI=1S/C13H22N2O2S/c1-9(2)18-8-12(15-14)11-7-10(16-3)5-6-13(11)17-4/h5-7,9,12,15H,8,14H2,1-4H3
InChIKeyHOSJQSXGBVNKSH-UHFFFAOYSA-N
XLogP2.35
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225815
[1-(2,5-dimethoxyphenyl)-2-methylpropyl]hydrazine
CID 105199640
2-butan-2-ylsulfanyl-1-(2,5-dimethoxyphenyl)ethanol
CID 65136288
[1-(2,5-dimethoxyphenyl)-2-(furan-3-yl)ethyl]hydrazine
CID 105331682
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
[1-(2,5-dimethoxyphenyl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105298736
[1-(2-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 105226155
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[1-(2,5-dimethoxyphenyl)propyl]-2-methylpropan-1-amine
CID 133148384
1-(2,5-dimethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028971
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721691

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The IUPAC name of [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine (CID 105226182) is [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine is COc1ccc(OC)c(C(CSC(C)C)NN)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
The InChIKey is HOSJQSXGBVNKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-9(2)18-8-12(15-14)11-7-10(16-3)5-6-13(11)17-4/h5-7,9,12,15H,8,14H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine?
[1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine has a molecular weight of 270.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)-2-propan-2-ylsulfanylethyl]hydrazine is sourced from PubChem (CID 105226182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).