[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine

C12H20N2S — CID 105300238

IUPAC[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCSCCC(NN)c1ccc(C)c(C)c1
InChIInChI=1S/C12H20N2S/c1-9-4-5-11(8-10(9)2)12(14-13)6-7-15-3/h4-5,8,12,14H,6-7,13H2,1-3H3
InChIKeyUVXJKOCDLOQMPL-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.56
Rot. Bonds5

About [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine

[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine (PubChem CID 105300238) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
PubChem CID105300238
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine
SMILESCSCCC(NN)c1ccc(C)c(C)c1
InChIInChI=1S/C12H20N2S/c1-9-4-5-11(8-10(9)2)12(14-13)6-7-15-3/h4-5,8,12,14H,6-7,13H2,1-3H3
InChIKeyUVXJKOCDLOQMPL-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.56
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

[3-methylsulfanyl-1-(2,4,5-trimethylphenyl)propyl]hydrazine
CID 105312908
[1-(4-fluorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105284085
[1-(3-chlorophenyl)-3-methylsulfanylpropyl]hydrazine
CID 105289207
[1-(3,4-dimethylphenyl)-4-methoxybutyl]hydrazine
CID 105225093
[1-(4-methoxyphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105286240
[1-(3,4-dimethylphenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026337
[3-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105302324
[1-(3,4-dimethylphenyl)-4-methylsulfonylbutyl]hydrazine
CID 105290819
[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345
[2-cyclopropyl-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105254156
[1-(3,4-dimethylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105300181
[1-(4-fluoro-2-methylphenyl)-3-methylsulfanylpropyl]hydrazine
CID 105302462

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
The IUPAC name of [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine (CID 105300238) is [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine is CSCCC(NN)c1ccc(C)c(C)c1.
What is the InChIKey of [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
The InChIKey is UVXJKOCDLOQMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-4-5-11(8-10(9)2)12(14-13)6-7-15-3/h4-5,8,12,14H,6-7,13H2,1-3H3.
What are the key properties of [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine?
[1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine has a molecular weight of 224.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylphenyl)-3-methylsulfanylpropyl]hydrazine is sourced from PubChem (CID 105300238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).