[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine

C13H15N3S — CID 79259768

IUPAC[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
SMILESCc1ccc(SCc2cc(NN)ccn2)cc1
InChIInChI=1S/C13H15N3S/c1-10-2-4-13(5-3-10)17-9-12-8-11(16-14)6-7-15-12/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyWGFXYMGLVLBCJF-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.97
Rot. Bonds4

About [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine

[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine (PubChem CID 79259768) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
PubChem CID79259768
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
SMILESCc1ccc(SCc2cc(NN)ccn2)cc1
InChIInChI=1S/C13H15N3S/c1-10-2-4-13(5-3-10)17-9-12-8-11(16-14)6-7-15-12/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyWGFXYMGLVLBCJF-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
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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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine (CID 79259768) is [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine is Cc1ccc(SCc2cc(NN)ccn2)cc1.
What is the InChIKey of [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
The InChIKey is WGFXYMGLVLBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10-2-4-13(5-3-10)17-9-12-8-11(16-14)6-7-15-12/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine has a molecular weight of 245.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).