[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine

C13H16N2S — CID 105319840

IUPAC[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1csc2ccccc12
InChIInChI=1S/C13H16N2S/c1-9(2)7-12(15-14)11-8-16-13-6-4-3-5-10(11)13/h3-8,12,15H,14H2,1-2H3
InChIKeyLRYXSBSDOXAJBQ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.37
Rot. Bonds3

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

[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine (PubChem CID 105319840) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine
PubChem CID105319840
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine
SMILESCC(C)=CC(NN)c1csc2ccccc12
InChIInChI=1S/C13H16N2S/c1-9(2)7-12(15-14)11-8-16-13-6-4-3-5-10(11)13/h3-8,12,15H,14H2,1-2H3
InChIKeyLRYXSBSDOXAJBQ-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.37
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)-3-methylbut-3-enyl]hydrazine
CID 105319578
1-(1-benzothiophen-3-yl)but-3-enylhydrazine
CID 105289618
1-(1-benzothiophen-3-yl)-N-ethylprop-2-en-1-amine
CID 105001023
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
1-(1-benzothiophen-3-yl)-2-methylpropan-1-amine
CID 43150910
3-amino-1-(1-benzothiophen-3-yl)-2-methylpropan-1-ol
CID 60733920
[1-(1-benzothiophen-3-yl)-2-ethoxyethyl]hydrazine
CID 105321248
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
[1-benzothiophen-3-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105292167

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine (CID 105319840) is [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine is CC(C)=CC(NN)c1csc2ccccc12.
What is the InChIKey of [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine?
The InChIKey is LRYXSBSDOXAJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-9(2)7-12(15-14)11-8-16-13-6-4-3-5-10(11)13/h3-8,12,15H,14H2,1-2H3.
What are the key properties of [1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine?
[1-(1-benzothiophen-3-yl)-3-methylbut-2-enyl]hydrazine has a molecular weight of 232.35 g/mol, XLogP of 3.37, 3 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)-3-methylbut-2-enyl]hydrazine is sourced from PubChem (CID 105319840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).