[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

C16H19FN2S — CID 105237281

IUPAC[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2cc(C)cc(F)c2)c1
InChIInChI=1S/C16H19FN2S/c1-11-4-3-5-15(8-11)20-10-16(19-18)13-6-12(2)7-14(17)9-13/h3-9,16,19H,10,18H2,1-2H3
InChIKeyGJJVIPWDHSSOMC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.74
Rot. Bonds5

About [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine

[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 105237281) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
PubChem CID105237281
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1cccc(SCC(NN)c2cc(C)cc(F)c2)c1
InChIInChI=1S/C16H19FN2S/c1-11-4-3-5-15(8-11)20-10-16(19-18)13-6-12(2)7-14(17)9-13/h3-9,16,19H,10,18H2,1-2H3
InChIKeyGJJVIPWDHSSOMC-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

N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 79697557
[1-(2,6-difluoro-3-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237121
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
[1-(furan-2-yl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237072
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
N-ethyl-1-(3-fluorophenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66086617
[2-(3-methylphenyl)sulfanyl-1-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105237107
[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
CID 105236551
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
1-(2,2-difluoroethylsulfanyl)-3-methylbenzene
CID 130741881
1-(3-methylphenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105237093

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine (CID 105237281) is [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is Cc1cccc(SCC(NN)c2cc(C)cc(F)c2)c1.
What is the InChIKey of [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is GJJVIPWDHSSOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-11-4-3-5-15(8-11)20-10-16(19-18)13-6-12(2)7-14(17)9-13/h3-9,16,19H,10,18H2,1-2H3.
What are the key properties of [1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine?
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)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-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105237281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).