[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine

C₁₇H₂₂N₂OS — CID 105333561

About [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine

[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine (PubChem CID 105333561) has the molecular formula C₁₇H₂₂N₂OS and a molecular weight of 302.44 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine.

Molecular Properties

• Compound Name: [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
• PubChem CID: 105333561
• Molecular Formula: C₁₇H₂₂N₂OS
• Molecular Weight: 302.44 g/mol
• Exact Mass: 302.15
• IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine
• SMILES: Cc1cc(C(CC2CCOc3ccccc32)NN)sc1C
• InChI: InChI=1S/C17H22N2OS/c1-11-9-17(21-12(11)2)15(19-18)10-13-7-8-20-16-6-4-3-5-14(13)16/h3-6,9,13,15,19H,7-8,10,18H2,1-2H3
• InChIKey: XUGBXFDOKRTBJQ-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 47.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.44
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine?

The IUPAC name of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine (CID 105333561) is [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine.

What is the SMILES notation for [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine?

The canonical SMILES for [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine is Cc1cc(C(CC2CCOc3ccccc32)NN)sc1C.

What is the InChIKey of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine?

The InChIKey is XUGBXFDOKRTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-11-9-17(21-12(11)2)15(19-18)10-13-7-8-20-16-6-4-3-5-14(13)16/h3-6,9,13,15,19H,7-8,10,18H2,1-2H3.

What are the key properties of [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine?

[2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine has a molecular weight of 302.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,4-dihydro-2H-chromen-4-yl)-1-(4,5-dimethylthiophen-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105333561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105333561 — identifiers, structure, computed properties (public domain)

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