[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

C16H18F2N2S — CID 105237121

IUPAC[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H18F2N2S/c1-10-4-3-5-12(8-10)21-9-14(20-19)15-13(17)7-6-11(2)16(15)18/h3-8,14,20H,9,19H2,1-2H3
InChIKeyWAPMXFXTHDOMKI-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.88
Rot. Bonds5

About [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 105237121) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
PubChem CID105237121
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C16H18F2N2S/c1-10-4-3-5-12(8-10)21-9-14(20-19)15-13(17)7-6-11(2)16(15)18/h3-8,14,20H,9,19H2,1-2H3
InChIKeyWAPMXFXTHDOMKI-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.88
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-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
1-(2,6-difluoro-3-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82822057
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
1-(3-fluoro-4-methylphenyl)-2-(3-methylphenyl)sulfanylethanol
CID 107128531
[1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 106884341
1-(2,5-dimethylphenyl)-N-methyl-2-(3-methylphenyl)sulfanylethanamine
CID 64625685
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)sulfanyl-N-methylethanamine
CID 82802933
[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
[1-(3-ethyltriazol-4-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 114213638
1-(2,3-difluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086989
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (CID 105237121) is [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is Cc1cccc(SCC(NN)c2c(F)ccc(C)c2F)c1.
What is the InChIKey of [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is WAPMXFXTHDOMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-10-4-3-5-12(8-10)21-9-14(20-19)15-13(17)7-6-11(2)16(15)18/h3-8,14,20H,9,19H2,1-2H3.
What are the key properties of [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine has a molecular weight of 308.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105237121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).