[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine

C13H20N2S — CID 105213827

IUPAC[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
SMILESCSCC(NN)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H20N2S/c1-16-9-13(15-14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13,15H,2,4-5,9,14H2,1H3
InChIKeyXTVDGXHDWMMNNY-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.82
Rot. Bonds5

About [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine

[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine (PubChem CID 105213827) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
PubChem CID105213827
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine
SMILESCSCC(NN)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H20N2S/c1-16-9-13(15-14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13,15H,2,4-5,9,14H2,1H3
InChIKeyXTVDGXHDWMMNNY-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-cyclobutylphenyl)propylhydrazine
CID 105200963
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
1-(3-cyclobutylphenyl)nonylhydrazine
CID 105342031
[1-(3-cyclobutylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]hydrazine
CID 105342062
[1-(3-cyclobutylphenyl)-3-methoxybutyl]hydrazine
CID 105266997
[1-(3-cyclobutylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212360
1-(3-cyclobutylphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 114603256
1-(3-cyclobutylphenyl)-2-propan-2-ylsulfanylethanamine
CID 114603248
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
N-[1-(3-cyclobutylphenyl)-2-propylsulfanylethyl]propan-1-amine
CID 114603243
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine?
The IUPAC name of [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine (CID 105213827) is [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine is CSCC(NN)c1cccc(C2CCC2)c1.
What is the InChIKey of [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine?
The InChIKey is XTVDGXHDWMMNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-16-9-13(15-14)12-7-3-6-11(8-12)10-4-2-5-10/h3,6-8,10,13,15H,2,4-5,9,14H2,1H3.
What are the key properties of [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine?
[1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine has a molecular weight of 236.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclobutylphenyl)-2-methylsulfanylethyl]hydrazine is sourced from PubChem (CID 105213827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).