[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine

C12H13N3S — CID 80923478

IUPAC[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
SMILESCc1cccc(Sc2cccc(NN)n2)c1
InChIInChI=1S/C12H13N3S/c1-9-4-2-5-10(8-9)16-12-7-3-6-11(14-12)15-13/h2-8H,13H2,1H3,(H,14,15)
InChIKeyYDCCSQYUVXREJI-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.83
Rot. Bonds3

About [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine

[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine (PubChem CID 80923478) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
PubChem CID80923478
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine
SMILESCc1cccc(Sc2cccc(NN)n2)c1
InChIInChI=1S/C12H13N3S/c1-9-4-2-5-10(8-9)16-12-7-3-6-11(14-12)15-13/h2-8H,13H2,1H3,(H,14,15)
InChIKeyYDCCSQYUVXREJI-UHFFFAOYSA-N
XLogP2.83
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.83
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-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine (CID 80923478) is [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine is Cc1cccc(Sc2cccc(NN)n2)c1.
What is the InChIKey of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine?
The InChIKey is YDCCSQYUVXREJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-9-4-2-5-10(8-9)16-12-7-3-6-11(14-12)15-13/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine?
[6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine has a molecular weight of 231.32 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methylphenyl)sulfanyl-2-pyridinyl]hydrazine is sourced from PubChem (CID 80923478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).