[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

C16H20N2S — CID 105283115

IUPAC[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccccc1)C1CCCc2sccc21
InChIInChI=1S/C16H20N2S/c17-18-15(11-12-5-2-1-3-6-12)13-7-4-8-16-14(13)9-10-19-16/h1-3,5-6,9-10,13,15,18H,4,7-8,11,17H2
InChIKeyLLLYMHXLNWVYSS-UHFFFAOYSA-N
MW272.42 g/mol
LogP3.24
Rot. Bonds4

About [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine

[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (PubChem CID 105283115) has the molecular formula C16H20N2S and a molecular weight of 272.42 g/mol. Its IUPAC name is [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
PubChem CID105283115
Molecular FormulaC16H20N2S
Molecular Weight272.42 g/mol
Exact Mass272.13
IUPAC Name[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
SMILESNNC(Cc1ccccc1)C1CCCc2sccc21
InChIInChI=1S/C16H20N2S/c17-18-15(11-12-5-2-1-3-6-12)13-7-4-8-16-14(13)9-10-19-16/h1-3,5-6,9-10,13,15,18H,4,7-8,11,17H2
InChIKeyLLLYMHXLNWVYSS-UHFFFAOYSA-N
XLogP3.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 53.24
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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Related Compounds

[2-(4-iodophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105310301
[2-(3,4-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105290006
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 107312849
1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pent-4-enylhydrazine
CID 105311558
[2-(2-methyl-1,2,4-triazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105316509
[2-(2,5-dimethylpyrazol-3-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine
CID 105315787
[4-ethylsulfonyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)butyl]hydrazine
CID 105310870
N-ethyl-2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105096166
[(2,6-difluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)methyl]hydrazine
CID 105308080
2-(4-methylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105088537
N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 105137544
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105114281

Frequently Asked Questions

What is the IUPAC name of [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The IUPAC name of [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine (CID 105283115) is [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine.
What is the SMILES notation for [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The canonical SMILES for [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is NNC(Cc1ccccc1)C1CCCc2sccc21.
What is the InChIKey of [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
The InChIKey is LLLYMHXLNWVYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2S/c17-18-15(11-12-5-2-1-3-6-12)13-7-4-8-16-14(13)9-10-19-16/h1-3,5-6,9-10,13,15,18H,4,7-8,11,17H2.
What are the key properties of [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine?
[2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine has a molecular weight of 272.42 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]hydrazine is sourced from PubChem (CID 105283115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).