[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine

C13H22N2S — CID 105312908

IUPAC[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
SMILESCSCCC(NN)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H22N2S/c1-9-7-11(3)12(8-10(9)2)13(15-14)5-6-16-4/h7-8,13,15H,5-6,14H2,1-4H3
InChIKeyHYKZPNWZYOYDHI-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.87
Rot. Bonds5

About [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine

[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine (PubChem CID 105312908) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
PubChem CID105312908
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
SMILESCSCCC(NN)c1cc(C)c(C)cc1C
InChIInChI=1S/C13H22N2S/c1-9-7-11(3)12(8-10(9)2)13(15-14)5-6-16-4/h7-8,13,15H,5-6,14H2,1-4H3
InChIKeyHYKZPNWZYOYDHI-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.87
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-(4-fluoro-2-methylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105302462
[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105300238
1-(2,4,5-trimethylphenyl)octylhydrazine
CID 105312882
[1-(2-methoxy-4,6-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 106682918
[1-(2-fluoro-4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 103397758
[4-chloro-1-(4-methoxy-2,5-dimethylphenyl)butyl]hydrazine
CID 105235798
2-methylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 64990414
[1-(4-fluorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105284085
[(1S)-1-(2,4,5-trimethylphenyl)ethyl]hydrazine
CID 96656268
[1-(3-chlorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105289207
[1-(furan-2-yl)-3-methylsulfanylpropyl]hydrazine
CID 105306045
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240

Frequently Asked Questions

What is the IUPAC name of [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine?
The IUPAC name of [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine (CID 105312908) is [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine.
What is the SMILES notation for [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine?
The canonical SMILES for [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine is CSCCC(NN)c1cc(C)c(C)cc1C.
What is the InChIKey of [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine?
The InChIKey is HYKZPNWZYOYDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-7-11(3)12(8-10(9)2)13(15-14)5-6-16-4/h7-8,13,15H,5-6,14H2,1-4H3.
What are the key properties of [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine?
[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine has a molecular weight of 238.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine is sourced from PubChem (CID 105312908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).