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

C13H18BrFN2S2 — CID 105259504

IUPAC[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(Cc1cccc(F)c1Br)NN
InChIInChI=1S/C13H18BrFN2S2/c1-8-13(19-6-5-18-8)11(17-16)7-9-3-2-4-10(15)12(9)14/h2-4,8,11,13,17H,5-7,16H2,1H3
InChIKeyYXVJROIJBGWXNU-UHFFFAOYSA-N
MW365.34 g/mol
LogP3.20
Rot. Bonds4

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

[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (PubChem CID 105259504) has the molecular formula C13H18BrFN2S2 and a molecular weight of 365.34 g/mol. Its IUPAC name is [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
PubChem CID105259504
Molecular FormulaC13H18BrFN2S2
Molecular Weight365.34 g/mol
Exact Mass364.01
IUPAC Name[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
SMILESCC1SCCSC1C(Cc1cccc(F)c1Br)NN
InChIInChI=1S/C13H18BrFN2S2/c1-8-13(19-6-5-18-8)11(17-16)7-9-3-2-4-10(15)12(9)14/h2-4,8,11,13,17H,5-7,16H2,1H3
InChIKeyYXVJROIJBGWXNU-UHFFFAOYSA-N
XLogP3.20
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 53.20
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-(2,6-difluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259734
[2-(2-bromo-3-fluorophenyl)-1-(thian-2-yl)ethyl]hydrazine
CID 105255720
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
2-(2,3-difluorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115386935
[2-(2-bromo-3-fluorophenyl)-1-cyclooctylethyl]hydrazine
CID 105255038
2-(2,3-difluorophenyl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387174
[2-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]hydrazine
CID 105234130
[2-(4-bromothiophen-2-yl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine
CID 105259686
N-[2-(2-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]propan-1-amine
CID 115387355
[2-(2-bromo-3-fluorophenyl)-1-(oxolan-2-yl)ethyl]hydrazine
CID 105228977
[1-(3-methyl-1,4-dithian-2-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105259452
[1-(3-methyl-1,4-dithian-2-yl)-2-quinolin-4-ylethyl]hydrazine
CID 105259589

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine (CID 105259504) is [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is CC1SCCSC1C(Cc1cccc(F)c1Br)NN.
What is the InChIKey of [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
The InChIKey is YXVJROIJBGWXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2S2/c1-8-13(19-6-5-18-8)11(17-16)7-9-3-2-4-10(15)12(9)14/h2-4,8,11,13,17H,5-7,16H2,1H3.
What are the key properties of [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine?
[2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine has a molecular weight of 365.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-3-fluorophenyl)-1-(3-methyl-1,4-dithian-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105259504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).