[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine

C13H18BrFN2S — CID 105255720

IUPAC[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1Br)C1CCCCS1
InChIInChI=1S/C13H18BrFN2S/c14-13-9(4-3-5-10(13)15)8-11(17-16)12-6-1-2-7-18-12/h3-5,11-12,17H,1-2,6-8,16H2
InChIKeyGAMBZDQMWMEDHU-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.25
Rot. Bonds4

About [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine

[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine (PubChem CID 105255720) has the molecular formula C13H18BrFN2S and a molecular weight of 333.27 g/mol. Its IUPAC name is [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
PubChem CID105255720
Molecular FormulaC13H18BrFN2S
Molecular Weight333.27 g/mol
Exact Mass332.04
IUPAC Name[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
SMILESNNC(Cc1cccc(F)c1Br)C1CCCCS1
InChIInChI=1S/C13H18BrFN2S/c14-13-9(4-3-5-10(13)15)8-11(17-16)12-6-1-2-7-18-12/h3-5,11-12,17H,1-2,6-8,16H2
InChIKeyGAMBZDQMWMEDHU-UHFFFAOYSA-N
XLogP3.25
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.25
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-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259504
[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105228977
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 102857841
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]hydrazine
CID 105234130
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105172123
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(thian-2-yl)ethanamine
CID 80627565
[2-(4-bromo-2-chlorophenyl)-1-(thiolan-2-yl)ethyl]hydrazine
CID 105255480
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethyl]hydrazine
CID 105234372
[2-(4-propan-2-ylphenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255638
[1-(2-bromo-3-fluorophenyl)-3-cyclopentylsulfanylpropan-2-yl]hydrazine
CID 105227417
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine (CID 105255720) is [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine is NNC(Cc1cccc(F)c1Br)C1CCCCS1.
What is the InChIKey of [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine?
The InChIKey is GAMBZDQMWMEDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2S/c14-13-9(4-3-5-10(13)15)8-11(17-16)12-6-1-2-7-18-12/h3-5,11-12,17H,1-2,6-8,16H2.
What are the key properties of [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine?
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine has a molecular weight of 333.27 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105255720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).