[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine

C13H21BrN2S — CID 105235845

IUPAC[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
SMILESCC(C)CCC(CSc1ccc(Br)cc1)NN
InChIInChI=1S/C13H21BrN2S/c1-10(2)3-6-12(16-15)9-17-13-7-4-11(14)5-8-13/h4-5,7-8,10,12,16H,3,6,9,15H2,1-2H3
InChIKeyDFBMJTKCUHFQSL-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.81
Rot. Bonds7

About [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine

[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine (PubChem CID 105235845) has the molecular formula C13H21BrN2S and a molecular weight of 317.30 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
PubChem CID105235845
Molecular FormulaC13H21BrN2S
Molecular Weight317.30 g/mol
Exact Mass316.06
IUPAC Name[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
SMILESCC(C)CCC(CSc1ccc(Br)cc1)NN
InChIInChI=1S/C13H21BrN2S/c1-10(2)3-6-12(16-15)9-17-13-7-4-11(14)5-8-13/h4-5,7-8,10,12,16H,3,6,9,15H2,1-2H3
InChIKeyDFBMJTKCUHFQSL-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
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-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
CID 105235987
[1-(4-bromophenyl)sulfanyl-5-methoxypentan-2-yl]hydrazine
CID 105236006
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105235891
(5-methyl-1-methylsulfanylhexan-2-yl)hydrazine
CID 105213733
1-(4-bromophenyl)sulfanyl-3-methylbutan-2-amine
CID 66054298
N-ethyl-5-methyl-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 66066786
[1-(2-bromophenyl)sulfanyl-6-methylheptan-2-yl]hydrazine
CID 105238259
[4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-yl]hydrazine
CID 105236973
[2-(4-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105235850
1-(4-chlorophenyl)sulfanyl-N-ethyl-5-methylhexan-2-amine
CID 66144962
1-(4-bromophenyl)sulfanyl-N-ethylhexan-2-amine
CID 66054722

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine (CID 105235845) is [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine is CC(C)CCC(CSc1ccc(Br)cc1)NN.
What is the InChIKey of [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine?
The InChIKey is DFBMJTKCUHFQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2S/c1-10(2)3-6-12(16-15)9-17-13-7-4-11(14)5-8-13/h4-5,7-8,10,12,16H,3,6,9,15H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine?
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine has a molecular weight of 317.30 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine is sourced from PubChem (CID 105235845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).