[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine

C15H23FN2S2 — CID 105259997

IUPAC[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1ccc(F)cc1C)NN
InChIInChI=1S/C15H23FN2S2/c1-3-14-15(20-7-6-19-14)13(18-17)9-11-4-5-12(16)8-10(11)2/h4-5,8,13-15,18H,3,6-7,9,17H2,1-2H3
InChIKeyMBXSYNYSRWRWSX-UHFFFAOYSA-N
MW314.50 g/mol
LogP3.14
Rot. Bonds5

About [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine

[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (PubChem CID 105259997) has the molecular formula C15H23FN2S2 and a molecular weight of 314.50 g/mol. Its IUPAC name is [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
PubChem CID105259997
Molecular FormulaC15H23FN2S2
Molecular Weight314.50 g/mol
Exact Mass314.13
IUPAC Name[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCCC1SCCSC1C(Cc1ccc(F)cc1C)NN
InChIInChI=1S/C15H23FN2S2/c1-3-14-15(20-7-6-19-14)13(18-17)9-11-4-5-12(16)8-10(11)2/h4-5,8,13-15,18H,3,6-7,9,17H2,1-2H3
InChIKeyMBXSYNYSRWRWSX-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-chloro-2-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 103053681
(3-ethyl-1,4-dithian-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 113299684
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387938
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethyl]hydrazine
CID 105259904
[1-(3-ethyl-1,4-dithian-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethyl]hydrazine
CID 105259979
[1-(2,3-dihydro-1H-inden-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105234257
1-(3-ethyl-1,4-dithian-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 115387815
2-(2,5-dimethylphenyl)-N-ethyl-1-(3-ethyl-1,4-dithian-2-yl)ethanamine
CID 115387941
(3-ethyl-1,4-dithian-2-yl)-(3-fluoro-4-methylphenyl)methanamine
CID 107129073
N-[(3-ethyl-1,4-dithian-2-yl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 115388258
2-(2-chloro-4-methylphenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 106868659
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The IUPAC name of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine (CID 105259997) is [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is CCC1SCCSC1C(Cc1ccc(F)cc1C)NN.
What is the InChIKey of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The InChIKey is MBXSYNYSRWRWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2S2/c1-3-14-15(20-7-6-19-14)13(18-17)9-11-4-5-12(16)8-10(11)2/h4-5,8,13-15,18H,3,6-7,9,17H2,1-2H3.
What are the key properties of [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine has a molecular weight of 314.50 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105259997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).