[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine

C13H18N2OS — CID 105209936

IUPAC[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1cccc2ccsc12
InChIInChI=1S/C13H18N2OS/c1-2-7-16-9-12(15-14)11-5-3-4-10-6-8-17-13(10)11/h3-6,8,12,15H,2,7,9,14H2,1H3
InChIKeyQCNMHNMGZROVSL-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.83
Rot. Bonds6

About [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine

[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine (PubChem CID 105209936) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine
PubChem CID105209936
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine
SMILESCCCOCC(NN)c1cccc2ccsc12
InChIInChI=1S/C13H18N2OS/c1-2-7-16-9-12(15-14)11-5-3-4-10-6-8-17-13(10)11/h3-6,8,12,15H,2,7,9,14H2,1H3
InChIKeyQCNMHNMGZROVSL-UHFFFAOYSA-N
XLogP2.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226376
[1-(1-benzothiophen-7-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211276
1-(1-benzothiophen-7-yl)-2-(2-methoxyethoxy)ethanamine
CID 114032936
[1-(3-methylthiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210038
1-(1-benzothiophen-7-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215996
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144
[1-(1-benzothiophen-7-yl)-2-ethoxybutyl]hydrazine
CID 105270974
[1-(1-benzothiophen-7-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105206873
[1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206637
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
1-(1-benzothiophen-7-yl)-N-methyloctan-1-amine
CID 105022083

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine (CID 105209936) is [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine is CCCOCC(NN)c1cccc2ccsc12.
What is the InChIKey of [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine?
The InChIKey is QCNMHNMGZROVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-2-7-16-9-12(15-14)11-5-3-4-10-6-8-17-13(10)11/h3-6,8,12,15H,2,7,9,14H2,1H3.
What are the key properties of [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine?
[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine has a molecular weight of 250.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine is sourced from PubChem (CID 105209936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).