[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine

C16H19FN2S — CID 105236399

IUPAC[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
SMILESCc1ccc(C(CSc2cccc(F)c2)NN)c(C)c1
InChIInChI=1S/C16H19FN2S/c1-11-6-7-15(12(2)8-11)16(19-18)10-20-14-5-3-4-13(17)9-14/h3-9,16,19H,10,18H2,1-2H3
InChIKeyIAJYVJAQMSGBBZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.74
Rot. Bonds5

About [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine

[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine (PubChem CID 105236399) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
PubChem CID105236399
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
SMILESCc1ccc(C(CSc2cccc(F)c2)NN)c(C)c1
InChIInChI=1S/C16H19FN2S/c1-11-6-7-15(12(2)8-11)16(19-18)10-20-14-5-3-4-13(17)9-14/h3-9,16,19H,10,18H2,1-2H3
InChIKeyIAJYVJAQMSGBBZ-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.74
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

[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105236551
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
1-(2,4-dimethylphenyl)-N-ethyl-2-(3-methylphenyl)sulfanylethanamine
CID 64627094
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
2-(3-fluorophenyl)sulfanyl-1-(5-methyl-1-benzofuran-2-yl)ethanamine
CID 114729395
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
[2-ethylsulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105225304
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine (CID 105236399) is [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine is Cc1ccc(C(CSc2cccc(F)c2)NN)c(C)c1.
What is the InChIKey of [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine?
The InChIKey is IAJYVJAQMSGBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11-6-7-15(12(2)8-11)16(19-18)10-20-14-5-3-4-13(17)9-14/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine?
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine has a molecular weight of 290.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105236399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).