1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine

C17H22N2S — CID 169384832

IUPAC1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine
SMILESCCCCSc1ccccc1CNNc1ccccc1
InChIInChI=1S/C17H22N2S/c1-2-3-13-20-17-12-8-7-9-15(17)14-18-19-16-10-5-4-6-11-16/h4-12,18-19H,2-3,13-14H2,1H3
InChIKeySHKKEMWOWAEEAD-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.70
Rot. Bonds8

About 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine

1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine (PubChem CID 169384832) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine
PubChem CID169384832
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine
SMILESCCCCSc1ccccc1CNNc1ccccc1
InChIInChI=1S/C17H22N2S/c1-2-3-13-20-17-12-8-7-9-15(17)14-18-19-16-10-5-4-6-11-16/h4-12,18-19H,2-3,13-14H2,1H3
InChIKeySHKKEMWOWAEEAD-UHFFFAOYSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine (CID 169384832) is 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine is CCCCSc1ccccc1CNNc1ccccc1.
What is the InChIKey of 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine?
The InChIKey is SHKKEMWOWAEEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-2-3-13-20-17-12-8-7-9-15(17)14-18-19-16-10-5-4-6-11-16/h4-12,18-19H,2-3,13-14H2,1H3.
What are the key properties of 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine?
1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine has a molecular weight of 286.44 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butylsulfanylphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).