[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine

C16H18BrFN2S — CID 105377848

IUPAC[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(F)cc1CC(CSc1ccccc1Br)NN
InChIInChI=1S/C16H18BrFN2S/c1-11-6-7-13(18)8-12(11)9-14(20-19)10-21-16-5-3-2-4-15(16)17/h2-8,14,20H,9-10,19H2,1H3
InChIKeyAFHVVARMIOIRIS-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.06
Rot. Bonds6

About [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine

[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine (PubChem CID 105377848) has the molecular formula C16H18BrFN2S and a molecular weight of 369.30 g/mol. Its IUPAC name is [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
PubChem CID105377848
Molecular FormulaC16H18BrFN2S
Molecular Weight369.30 g/mol
Exact Mass368.04
IUPAC Name[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(F)cc1CC(CSc1ccccc1Br)NN
InChIInChI=1S/C16H18BrFN2S/c1-11-6-7-13(18)8-12(11)9-14(20-19)10-21-16-5-3-2-4-15(16)17/h2-8,14,20H,9-10,19H2,1H3
InChIKeyAFHVVARMIOIRIS-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.06
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

[1-(2-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105238200
1-(2-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66144079
1-(2-bromophenyl)sulfanyl-3-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 102619034
[1-(3-bromo-5-fluorophenyl)-3-(2-bromophenyl)sulfanylpropan-2-yl]hydrazine
CID 105238111
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115
[1-(2-bromophenyl)sulfanyl-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105238103
[1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-yl]hydrazine
CID 105237547
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
1-(2-bromo-5-fluorophenyl)-3-(2-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66053668
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine (CID 105377848) is [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine is Cc1ccc(F)cc1CC(CSc1ccccc1Br)NN.
What is the InChIKey of [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
The InChIKey is AFHVVARMIOIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2S/c1-11-6-7-13(18)8-12(11)9-14(20-19)10-21-16-5-3-2-4-15(16)17/h2-8,14,20H,9-10,19H2,1H3.
What are the key properties of [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine?
[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine has a molecular weight of 369.30 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105377848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).