[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine

C14H12Br2ClFN2S — CID 106765297

IUPAC[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1ccc(Br)cc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H12Br2ClFN2S/c15-8-1-3-9(4-2-8)21-7-12(20-19)10-5-6-11(16)13(17)14(10)18/h1-6,12,20H,7,19H2
InChIKeyVERJEDKRYDKEMA-UHFFFAOYSA-N
MW454.59 g/mol
LogP5.30
Rot. Bonds5

About [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine (PubChem CID 106765297) has the molecular formula C14H12Br2ClFN2S and a molecular weight of 454.59 g/mol. Its IUPAC name is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine
PubChem CID106765297
Molecular FormulaC14H12Br2ClFN2S
Molecular Weight454.59 g/mol
Exact Mass451.88
IUPAC Name[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1ccc(Br)cc1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H12Br2ClFN2S/c15-8-1-3-9(4-2-8)21-7-12(20-19)10-5-6-11(16)13(17)14(10)18/h1-6,12,20H,7,19H2
InChIKeyVERJEDKRYDKEMA-UHFFFAOYSA-N
XLogP5.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-ylsulfanylethyl]hydrazine
CID 106765272
[2-(4-bromophenyl)sulfanyl-1-(2,3-dichlorophenyl)ethyl]hydrazine
CID 105235977
[2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethyl]hydrazine
CID 105235884
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 106765191
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-propan-2-yloxyethyl]hydrazine
CID 106765612
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-bromophenyl)ethyl]hydrazine
CID 106765205
[2-(4-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105235850
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 106762284
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(oxan-2-yl)ethyl]hydrazine
CID 106765387
N-[(4-bromo-3-chloro-2-fluorophenyl)-(4-bromophenyl)methyl]ethanamine
CID 106762270
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine (CID 106765297) is [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine is NNC(CSc1ccc(Br)cc1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine?
The InChIKey is VERJEDKRYDKEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2ClFN2S/c15-8-1-3-9(4-2-8)21-7-12(20-19)10-5-6-11(16)13(17)14(10)18/h1-6,12,20H,7,19H2.
What are the key properties of [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine?
[1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine has a molecular weight of 454.59 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-bromophenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 106765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).