[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine

C15H19N3S — CID 80924040

IUPAC[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
SMILESCC(C)(C)c1ccc(Sc2cccc(NN)n2)cc1
InChIInChI=1S/C15H19N3S/c1-15(2,3)11-7-9-12(10-8-11)19-14-6-4-5-13(17-14)18-16/h4-10H,16H2,1-3H3,(H,17,18)
InChIKeyOXZLATUUUBDWDM-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.82
Rot. Bonds3

About [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine

[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine (PubChem CID 80924040) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
PubChem CID80924040
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine
SMILESCC(C)(C)c1ccc(Sc2cccc(NN)n2)cc1
InChIInChI=1S/C15H19N3S/c1-15(2,3)11-7-9-12(10-8-11)19-14-6-4-5-13(17-14)18-16/h4-10H,16H2,1-3H3,(H,17,18)
InChIKeyOXZLATUUUBDWDM-UHFFFAOYSA-N
XLogP3.82
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.82
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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Frequently Asked Questions

What is the IUPAC name of [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine?
The IUPAC name of [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine (CID 80924040) is [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine is CC(C)(C)c1ccc(Sc2cccc(NN)n2)cc1.
What is the InChIKey of [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine?
The InChIKey is OXZLATUUUBDWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2,3)11-7-9-12(10-8-11)19-14-6-4-5-13(17-14)18-16/h4-10H,16H2,1-3H3,(H,17,18).
What are the key properties of [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine?
[6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine has a molecular weight of 273.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-tert-butylphenyl)sulfanyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 80924040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).