[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine

C17H21FN2S — CID 105236551

IUPAC[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
SMILESCC(C)c1ccc(C(CSc2cccc(F)c2)NN)cc1
InChIInChI=1S/C17H21FN2S/c1-12(2)13-6-8-14(9-7-13)17(20-19)11-21-16-5-3-4-15(18)10-16/h3-10,12,17,20H,11,19H2,1-2H3
InChIKeyLWYUZCYNGOKFIL-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.25
Rot. Bonds6

About [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine

[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine (PubChem CID 105236551) has the molecular formula C17H21FN2S and a molecular weight of 304.43 g/mol. Its IUPAC name is [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
PubChem CID105236551
Molecular FormulaC17H21FN2S
Molecular Weight304.43 g/mol
Exact Mass304.14
IUPAC Name[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine
SMILESCC(C)c1ccc(C(CSc2cccc(F)c2)NN)cc1
InChIInChI=1S/C17H21FN2S/c1-12(2)13-6-8-14(9-7-13)17(20-19)11-21-16-5-3-4-15(18)10-16/h3-10,12,17,20H,11,19H2,1-2H3
InChIKeyLWYUZCYNGOKFIL-UHFFFAOYSA-N
XLogP4.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.25
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-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
(2R)-1-(3-fluorophenyl)sulfanylpropan-2-amine
CID 104889284
[1-(3-fluorophenyl)-2-(4-fluorophenyl)sulfanylethyl]hydrazine
CID 105236697
[1-(3-fluoro-5-methylphenyl)-2-(3-methylphenyl)sulfanylethyl]hydrazine
CID 105237281
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3,4-dichlorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66071458
1-(3-fluorophenyl)sulfanylbut-3-en-2-ylhydrazine
CID 105236361
[4-ethyl-1-(3-fluorophenyl)sulfanylhexan-2-yl]hydrazine
CID 105236538
[1-(4-ethylphenyl)-2-phenylsulfanylethyl]hydrazine
CID 105228219
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine (CID 105236551) is [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine is CC(C)c1ccc(C(CSc2cccc(F)c2)NN)cc1.
What is the InChIKey of [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
The InChIKey is LWYUZCYNGOKFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2S/c1-12(2)13-6-8-14(9-7-13)17(20-19)11-21-16-5-3-4-15(18)10-16/h3-10,12,17,20H,11,19H2,1-2H3.
What are the key properties of [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine?
[2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine has a molecular weight of 304.43 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105236551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).