[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine

C13H21BrN2S — CID 105226918

IUPAC[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(Cc1ccc(Br)cc1)NN
InChIInChI=1S/C13H21BrN2S/c1-10(2)8-17-9-13(16-15)7-11-3-5-12(14)6-4-11/h3-6,10,13,16H,7-9,15H2,1-2H3
InChIKeyGYMLBNBIOPLSEW-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.21
Rot. Bonds7

About [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine

[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine (PubChem CID 105226918) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
PubChem CID105226918
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
SMILESCC(C)CSCC(Cc1ccc(Br)cc1)NN
InChIInChI=1S/C13H21BrN2S/c1-10(2)8-17-9-13(16-15)7-11-3-5-12(14)6-4-11/h3-6,10,13,16H,7-9,15H2,1-2H3
InChIKeyGYMLBNBIOPLSEW-UHFFFAOYSA-N
XLogP3.21
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.21
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-(5-bromo-2-pyridinyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226767
[1-(4-ethylphenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225581
[1-(4-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806
1-(4-bromophenyl)hept-5-yn-2-ylhydrazine
CID 105195601
[1-(2,5-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226723
[1-(3-bromophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225748
1-(4-tert-butylphenyl)-N-ethyl-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135023
[1-(3-bromo-4-methoxyphenyl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195433
[1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(4-bromophenyl)propan-2-yl]hydrazine
CID 105195516
1-(4-iodophenyl)-3-(2-methylpropylsulfanyl)-N-propylpropan-2-amine
CID 65478586
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine (CID 105226918) is [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine is CC(C)CSCC(Cc1ccc(Br)cc1)NN.
What is the InChIKey of [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
The InChIKey is GYMLBNBIOPLSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-10(2)8-17-9-13(16-15)7-11-3-5-12(14)6-4-11/h3-6,10,13,16H,7-9,15H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine?
[1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine has a molecular weight of 317.30 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105226918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).