[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine

C14H17N3S — CID 79233187

IUPAC[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
SMILESCc1ccccc1CSCc1cccc(NN)n1
InChIInChI=1S/C14H17N3S/c1-11-5-2-3-6-12(11)9-18-10-13-7-4-8-14(16-13)17-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeySUNKFFSAFLWBKA-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.11
Rot. Bonds5

About [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine

[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine (PubChem CID 79233187) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
PubChem CID79233187
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
SMILESCc1ccccc1CSCc1cccc(NN)n1
InChIInChI=1S/C14H17N3S/c1-11-5-2-3-6-12(11)9-18-10-13-7-4-8-14(16-13)17-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeySUNKFFSAFLWBKA-UHFFFAOYSA-N
XLogP3.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.11
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-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine (CID 79233187) is [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine is Cc1ccccc1CSCc1cccc(NN)n1.
What is the InChIKey of [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
The InChIKey is SUNKFFSAFLWBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-5-2-3-6-12(11)9-18-10-13-7-4-8-14(16-13)17-15/h2-8H,9-10,15H2,1H3,(H,16,17).
What are the key properties of [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine?
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine has a molecular weight of 259.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79233187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).