[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine

C16H22N2S — CID 105340477

IUPAC[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine
SMILESCCCc1cccc(C(NN)c2sccc2CC)c1
InChIInChI=1S/C16H22N2S/c1-3-6-12-7-5-8-14(11-12)15(18-17)16-13(4-2)9-10-19-16/h5,7-11,15,18H,3-4,6,17H2,1-2H3
InChIKeySDJDJYYGXVWCDE-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.82
Rot. Bonds6

About [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine

[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine (PubChem CID 105340477) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine
PubChem CID105340477
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine
SMILESCCCc1cccc(C(NN)c2sccc2CC)c1
InChIInChI=1S/C16H22N2S/c1-3-6-12-7-5-8-14(11-12)15(18-17)16-13(4-2)9-10-19-16/h5,7-11,15,18H,3-4,6,17H2,1-2H3
InChIKeySDJDJYYGXVWCDE-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine?
The IUPAC name of [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine (CID 105340477) is [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine is CCCc1cccc(C(NN)c2sccc2CC)c1.
What is the InChIKey of [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine?
The InChIKey is SDJDJYYGXVWCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-6-12-7-5-8-14(11-12)15(18-17)16-13(4-2)9-10-19-16/h5,7-11,15,18H,3-4,6,17H2,1-2H3.
What are the key properties of [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine?
[(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine has a molecular weight of 274.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-ethylthiophen-2-yl)-(3-propylphenyl)methyl]hydrazine is sourced from PubChem (CID 105340477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).