1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone

C15H16OS2 — CID 83136135

IUPAC1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)c1cc2ccccc2s1
InChIInChI=1S/C15H16OS2/c16-13(9-11-5-7-17-8-6-11)15-10-12-3-1-2-4-14(12)18-15/h1-4,10-11H,5-9H2
InChIKeyPBBNGCLINGVXDZ-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.62
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone

1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone (PubChem CID 83136135) has the molecular formula C15H16OS2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
PubChem CID83136135
Molecular FormulaC15H16OS2
Molecular Weight276.43 g/mol
Exact Mass276.06
IUPAC Name1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone
SMILESO=C(CC1CCSCC1)c1cc2ccccc2s1
InChIInChI=1S/C15H16OS2/c16-13(9-11-5-7-17-8-6-11)15-10-12-3-1-2-4-14(12)18-15/h1-4,10-11H,5-9H2
InChIKeyPBBNGCLINGVXDZ-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-1-(5-fluoro-1-benzothiophen-2-yl)ethanone
CID 105102770
2-cyclopentyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanone
CID 114969325
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 10155637
[2-(1-benzothiophen-2-yl)-2-oxoethyl] acetate
CID 102589864
1-(1-benzothiophen-2-yl)-2-ethoxyethanone
CID 115783077
N-(2-amino-1-cyclopropylethyl)-1-benzothiophene-2-carboxamide;hydrochloride
CID 119613670
1-(3-bromophenyl)-2-(thian-4-yl)ethanone
CID 83136559
4-[(1R)-3-(1-benzothiophen-2-yl)-1-cyclopropyl-3-oxopropyl]-N-hydroxybenzamide
CID 58417207
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone (CID 83136135) is 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone is O=C(CC1CCSCC1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone?
The InChIKey is PBBNGCLINGVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS2/c16-13(9-11-5-7-17-8-6-11)15-10-12-3-1-2-4-14(12)18-15/h1-4,10-11H,5-9H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone?
1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone has a molecular weight of 276.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(thian-4-yl)ethanone is sourced from PubChem (CID 83136135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).