[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine

C15H16BrFN2S — CID 105238344

IUPAC[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCc1cc(F)ccc1C(CSc1cccc(Br)c1)NN
InChIInChI=1S/C15H16BrFN2S/c1-10-7-12(17)5-6-14(10)15(19-18)9-20-13-4-2-3-11(16)8-13/h2-8,15,19H,9,18H2,1H3
InChIKeyVATBBUOFDCTATP-UHFFFAOYSA-N
MW355.28 g/mol
LogP4.19
Rot. Bonds5

About [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine

[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine (PubChem CID 105238344) has the molecular formula C15H16BrFN2S and a molecular weight of 355.28 g/mol. Its IUPAC name is [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
PubChem CID105238344
Molecular FormulaC15H16BrFN2S
Molecular Weight355.28 g/mol
Exact Mass354.02
IUPAC Name[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
SMILESCc1cc(F)ccc1C(CSc1cccc(Br)c1)NN
InChIInChI=1S/C15H16BrFN2S/c1-10-7-12(17)5-6-14(10)15(19-18)9-20-13-4-2-3-11(16)8-13/h2-8,15,19H,9,18H2,1H3
InChIKeyVATBBUOFDCTATP-UHFFFAOYSA-N
XLogP4.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 54.19
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-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876
[1-(2,4-dimethylphenyl)-2-(3-fluorophenyl)sulfanylethyl]hydrazine
CID 105236399
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
CID 66159611
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376
1-(4-fluoro-2-methylphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 65143326
[2-ethylsulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105225304
2-(3-bromophenyl)sulfanyl-1-(2,4-dimethylphenyl)ethanamine
CID 64634951
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
[1-(3-bromophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-yl]hydrazine
CID 105238323
[1-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylethyl]hydrazine
CID 105236949

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The IUPAC name of [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine (CID 105238344) is [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine is Cc1cc(F)ccc1C(CSc1cccc(Br)c1)NN.
What is the InChIKey of [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
The InChIKey is VATBBUOFDCTATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2S/c1-10-7-12(17)5-6-14(10)15(19-18)9-20-13-4-2-3-11(16)8-13/h2-8,15,19H,9,18H2,1H3.
What are the key properties of [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine?
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine has a molecular weight of 355.28 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine is sourced from PubChem (CID 105238344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).