[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine

C15H16ClFN2S — CID 105397872

IUPAC[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1ccccc1SCC(NN)c1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2S/c1-10-4-2-3-5-15(10)20-9-14(19-18)12-8-11(17)6-7-13(12)16/h2-8,14,19H,9,18H2,1H3
InChIKeyLDTQNTYCCGZQOR-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.08
Rot. Bonds5

About [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine

[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine (PubChem CID 105397872) has the molecular formula C15H16ClFN2S and a molecular weight of 310.83 g/mol. Its IUPAC name is [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
PubChem CID105397872
Molecular FormulaC15H16ClFN2S
Molecular Weight310.83 g/mol
Exact Mass310.07
IUPAC Name[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
SMILESCc1ccccc1SCC(NN)c1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2S/c1-10-4-2-3-5-15(10)20-9-14(19-18)12-8-11(17)6-7-13(12)16/h2-8,14,19H,9,18H2,1H3
InChIKeyLDTQNTYCCGZQOR-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.08
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-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine
CID 105237339
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395120
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-(2-methylphenyl)sulfanylethanamine
CID 105395121
[1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propyl]hydrazine
CID 105398184
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876
1-(4-fluoro-2-methylphenyl)-N-methyl-2-(2-methylphenyl)sulfanylethanamine
CID 66096546
[2-(2-methylphenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105237305
1-(2,5-difluorophenyl)-2-(2-methylphenyl)sulfanylethanamine
CID 66096733
[1-(2-chloro-5-fluorophenyl)-3,3-dimethylbutyl]hydrazine
CID 105397818
[2-(2-chlorophenyl)sulfanyl-1-(3,5-difluorophenyl)ethyl]hydrazine
CID 105237706
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-2-methylphenyl)ethanol
CID 66153341
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine (CID 105397872) is [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine is Cc1ccccc1SCC(NN)c1cc(F)ccc1Cl.
What is the InChIKey of [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine?
The InChIKey is LDTQNTYCCGZQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2S/c1-10-4-2-3-5-15(10)20-9-14(19-18)12-8-11(17)6-7-13(12)16/h2-8,14,19H,9,18H2,1H3.
What are the key properties of [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine?
[1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine has a molecular weight of 310.83 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105397872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).