[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine

C12H16ClFN2S2 — CID 107895212

IUPAC[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(F)c1)C1CSCCS1
InChIInChI=1S/C12H16ClFN2S2/c13-9-2-1-8(5-10(9)14)6-11(16-15)12-7-17-3-4-18-12/h1-2,5,11-12,16H,3-4,6-7,15H2
InChIKeyDZRDEKZAHHIJIL-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.70
Rot. Bonds4

About [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine

[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 107895212) has the molecular formula C12H16ClFN2S2 and a molecular weight of 306.86 g/mol. Its IUPAC name is [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID107895212
Molecular FormulaC12H16ClFN2S2
Molecular Weight306.86 g/mol
Exact Mass306.04
IUPAC Name[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1ccc(Cl)c(F)c1)C1CSCCS1
InChIInChI=1S/C12H16ClFN2S2/c13-9-2-1-8(5-10(9)14)6-11(16-15)12-7-17-3-4-18-12/h1-2,5,11-12,16H,3-4,6-7,15H2
InChIKeyDZRDEKZAHHIJIL-UHFFFAOYSA-N
XLogP2.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.70
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-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249447
[1-(1,4-dithian-2-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105249365
[1-(1,4-dithian-2-yl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105249241
N-[2-(3,4-difluorophenyl)-1-(1,4-dithian-2-yl)ethyl]propan-1-amine
CID 82923269
[2-(4-chloro-3-fluorophenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 114013679
[2-(4-chloro-3-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethyl]hydrazine
CID 107895103
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(1,4-oxathian-2-yl)ethanamine
CID 107884975
2-(4-chloro-3-fluorophenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylethanamine
CID 107885067
[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 107894856
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dimethyl-1,4-diazepan-2-yl)ethyl]hydrazine
CID 107895279
2-(2-chloro-4-fluorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965359

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine (CID 107895212) is [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is NNC(Cc1ccc(Cl)c(F)c1)C1CSCCS1.
What is the InChIKey of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is DZRDEKZAHHIJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2S2/c13-9-2-1-8(5-10(9)14)6-11(16-15)12-7-17-3-4-18-12/h1-2,5,11-12,16H,3-4,6-7,15H2.
What are the key properties of [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine?
[2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 306.86 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-3-fluorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 107895212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).