1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine

C14H18N2S — CID 105334973

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2S/c1-2-3-4-8-12(16-15)14-10-11-7-5-6-9-13(11)17-14/h5-7,9,12,14,16H,4,8,10,15H2,1H3
InChIKeyNGMRRAFZSRZHRK-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.34
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine

1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine (PubChem CID 105334973) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
PubChem CID105334973
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine
SMILESCC#CCCC(NN)C1Cc2ccccc2S1
InChIInChI=1S/C14H18N2S/c1-2-3-4-8-12(16-15)14-10-11-7-5-6-9-13(11)17-14/h5-7,9,12,14,16H,4,8,10,15H2,1H3
InChIKeyNGMRRAFZSRZHRK-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-methoxyethyl]hydrazine
CID 105321616
[1-(2,3-dihydro-1-benzothiophen-2-yl)-3-methylhexyl]hydrazine
CID 105298148
[1-(2,3-dihydro-1-benzothiophen-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328932
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpropan-1-amine
CID 105079050
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310289
[1-(2,3-dihydro-1-benzothiophen-2-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105317497
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylhexan-1-amine
CID 105130052
[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105299519
[2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105314735
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-ethylpropan-1-amine
CID 105078795
1-(2,3-dihydro-1-benzothiophen-2-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 105090430

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine (CID 105334973) is 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine is CC#CCCC(NN)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
The InChIKey is NGMRRAFZSRZHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-2-3-4-8-12(16-15)14-10-11-7-5-6-9-13(11)17-14/h5-7,9,12,14,16H,4,8,10,15H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine?
1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine has a molecular weight of 246.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)hex-4-ynylhydrazine is sourced from PubChem (CID 105334973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).