2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone

C14H14OS2 — CID 80621447

IUPAC2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1csc2ccccc12)C1CCCS1
InChIInChI=1S/C14H14OS2/c15-12(14-6-3-7-16-14)8-10-9-17-13-5-2-1-4-11(10)13/h1-2,4-5,9,14H,3,6-8H2
InChIKeyMGPGJUITVBFGSH-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.91
Rot. Bonds3

About 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone

2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone (PubChem CID 80621447) has the molecular formula C14H14OS2 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone
PubChem CID80621447
Molecular FormulaC14H14OS2
Molecular Weight262.40 g/mol
Exact Mass262.05
IUPAC Name2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone
SMILESO=C(Cc1csc2ccccc12)C1CCCS1
InChIInChI=1S/C14H14OS2/c15-12(14-6-3-7-16-14)8-10-9-17-13-5-2-1-4-11(10)13/h1-2,4-5,9,14H,3,6-8H2
InChIKeyMGPGJUITVBFGSH-UHFFFAOYSA-N
XLogP3.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-1-cyclooctylethanone
CID 80602136
1-(azepan-2-yl)-2-(1-benzothiophen-3-yl)ethanone
CID 116582553
1-(1-benzothiophen-3-yl)-4-cyclohexylbutan-2-one
CID 114965584
2-(1-benzothiophen-3-yl)-1-(3-ethylcyclopentyl)ethanone
CID 65409096
2-(2,6-difluorophenyl)-1-(thiolan-2-yl)ethanone
CID 114931412
1-[2-(1-benzothiophen-3-yl)ethyl]-3-cyclohexylurea
CID 112831578
N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexanecarboxamide
CID 87005605
(2S)-1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 10541446
1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 85178324
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
3-(1-benzothiophen-3-ylmethyl)-2-methylthian-3-ol
CID 79951470
1-N,4-N-bis(1-benzothiophen-3-ylmethyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 112827429

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone (CID 80621447) is 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone is O=C(Cc1csc2ccccc12)C1CCCS1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone?
The InChIKey is MGPGJUITVBFGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS2/c15-12(14-6-3-7-16-14)8-10-9-17-13-5-2-1-4-11(10)13/h1-2,4-5,9,14H,3,6-8H2.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone?
2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(thiolan-2-yl)ethanone is sourced from PubChem (CID 80621447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).