[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine

C13H21BrN2OS — CID 105226128

IUPAC[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
SMILESCOc1ccc(Br)cc1CC(CSC(C)C)NN
InChIInChI=1S/C13H21BrN2OS/c1-9(2)18-8-12(16-15)7-10-6-11(14)4-5-13(10)17-3/h4-6,9,12,16H,7-8,15H2,1-3H3
InChIKeyLETVEGPJAOMMDT-UHFFFAOYSA-N
MW333.30 g/mol
LogP2.97
Rot. Bonds7

About [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine

[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine (PubChem CID 105226128) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
PubChem CID105226128
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
SMILESCOc1ccc(Br)cc1CC(CSC(C)C)NN
InChIInChI=1S/C13H21BrN2OS/c1-9(2)18-8-12(16-15)7-10-6-11(14)4-5-13(10)17-3/h4-6,9,12,16H,7-8,15H2,1-3H3
InChIKeyLETVEGPJAOMMDT-UHFFFAOYSA-N
XLogP2.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 52.97
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

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[1-ethylsulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-yl]hydrazine
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[2-(5-bromo-2-methoxyphenyl)-1-(3-bromophenyl)ethyl]hydrazine
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4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine (CID 105226128) is [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine is COc1ccc(Br)cc1CC(CSC(C)C)NN.
What is the InChIKey of [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The InChIKey is LETVEGPJAOMMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-9(2)18-8-12(16-15)7-10-6-11(14)4-5-13(10)17-3/h4-6,9,12,16H,7-8,15H2,1-3H3.
What are the key properties of [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
[1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine has a molecular weight of 333.30 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105226128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).