[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine

C12H16N2OS — CID 105321248

IUPAC[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine
SMILESCCOCC(NN)c1csc2ccccc12
InChIInChI=1S/C12H16N2OS/c1-2-15-7-11(14-13)10-8-16-12-6-4-3-5-9(10)12/h3-6,8,11,14H,2,7,13H2,1H3
InChIKeyNPCBFDPPIHQQLJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.44
Rot. Bonds5

About [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine

[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine (PubChem CID 105321248) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine
PubChem CID105321248
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine
SMILESCCOCC(NN)c1csc2ccccc12
InChIInChI=1S/C12H16N2OS/c1-2-15-7-11(14-13)10-8-16-12-6-4-3-5-9(10)12/h3-6,8,11,14H,2,7,13H2,1H3
InChIKeyNPCBFDPPIHQQLJ-UHFFFAOYSA-N
XLogP2.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
[1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319578
1-(1-benzothiophen-3-yl)but-3-enylhydrazine
CID 105289618
1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine
CID 105307898
[1-(1-benzothiophen-3-yl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291375
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
1-(1-benzothiophen-3-yl)-N-ethylbutan-1-amine
CID 43492291
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
[1-(1-benzothiophen-3-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105291750
[1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286405
1-(1-benzothiophen-3-yl)-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65386100
[2-ethoxy-1-[2-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105235372

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine (CID 105321248) is [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine is CCOCC(NN)c1csc2ccccc12.
What is the InChIKey of [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine?
The InChIKey is NPCBFDPPIHQQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-15-7-11(14-13)10-8-16-12-6-4-3-5-9(10)12/h3-6,8,11,14H,2,7,13H2,1H3.
What are the key properties of [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine?
[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine has a molecular weight of 236.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine is sourced from PubChem (CID 105321248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).