1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine

C12H18N2S — CID 105289523

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc2c(s1)CCCC2
InChIInChI=1S/C12H18N2S/c1-2-5-10(14-13)12-8-9-6-3-4-7-11(9)15-12/h2,8,10,14H,1,3-7,13H2
InChIKeyCQPBHMBLIJHCNH-UHFFFAOYSA-N
MW222.36 g/mol
LogP2.71
Rot. Bonds4

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine

1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine (PubChem CID 105289523) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
PubChem CID105289523
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1cc2c(s1)CCCC2
InChIInChI=1S/C12H18N2S/c1-2-5-10(14-13)12-8-9-6-3-4-7-11(9)15-12/h2,8,10,14H,1,3-7,13H2
InChIKeyCQPBHMBLIJHCNH-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 52.71
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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-enylhydrazine
CID 105311280
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylbut-3-en-1-amine
CID 115815173
[2-cyclobutyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]hydrazine
CID 105309957
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentylhydrazine
CID 105293687
[3-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pentyl]hydrazine
CID 105330949
[5-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexyl]hydrazine
CID 105331199
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105283232
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
CID 105334885
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pent-4-en-1-amine
CID 104987233
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4,4-dimethylpentyl]hydrazine
CID 105299986
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hex-5-en-1-amine
CID 104986647
[2-(3,5-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105413104

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine (CID 105289523) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine is C=CCC(NN)c1cc2c(s1)CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine?
The InChIKey is CQPBHMBLIJHCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c1-2-5-10(14-13)12-8-9-6-3-4-7-11(9)15-12/h2,8,10,14H,1,3-7,13H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine has a molecular weight of 222.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)but-3-enylhydrazine is sourced from PubChem (CID 105289523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).