1-(1-benzothiophen-3-yl)but-3-enylhydrazine

C12H14N2S — CID 105289618

IUPAC1-(1-benzothiophen-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1csc2ccccc12
InChIInChI=1S/C12H14N2S/c1-2-5-11(14-13)10-8-15-12-7-4-3-6-9(10)12/h2-4,6-8,11,14H,1,5,13H2
InChIKeySQDSUDJUTXTZJM-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.98
Rot. Bonds4

About 1-(1-benzothiophen-3-yl)but-3-enylhydrazine

1-(1-benzothiophen-3-yl)but-3-enylhydrazine (PubChem CID 105289618) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)but-3-enylhydrazine
PubChem CID105289618
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name1-(1-benzothiophen-3-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1csc2ccccc12
InChIInChI=1S/C12H14N2S/c1-2-5-11(14-13)10-8-15-12-7-4-3-6-9(10)12/h2-4,6-8,11,14H,1,5,13H2
InChIKeySQDSUDJUTXTZJM-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-3-yl)but-3-en-1-amine
CID 112693252
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013
[1-(1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319578
1-(1-benzothiophen-3-yl)pent-4-ynylhydrazine
CID 105307898
[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine
CID 105321248
[1-(1-benzothiophen-3-yl)-3-methylhexyl]hydrazine
CID 105298182
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
[1-(1-benzothiophen-3-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethyl]hydrazine
CID 105323555
(1S)-1-(1-benzothiophen-3-yl)pent-4-en-1-amine;hydrochloride
CID 171224605
1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490
[1-(1-benzothiophen-3-yl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286405
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)but-3-enylhydrazine?
The IUPAC name of 1-(1-benzothiophen-3-yl)but-3-enylhydrazine (CID 105289618) is 1-(1-benzothiophen-3-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)but-3-enylhydrazine is C=CCC(NN)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)but-3-enylhydrazine?
The InChIKey is SQDSUDJUTXTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-5-11(14-13)10-8-15-12-7-4-3-6-9(10)12/h2-4,6-8,11,14H,1,5,13H2.
What are the key properties of 1-(1-benzothiophen-3-yl)but-3-enylhydrazine?
1-(1-benzothiophen-3-yl)but-3-enylhydrazine has a molecular weight of 218.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)but-3-enylhydrazine is sourced from PubChem (CID 105289618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).