(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone

C13H8O2S2 — CID 139795818

IUPAC(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1ccc2sccc2c1O
InChIInChI=1S/C13H8O2S2/c14-12-8-5-7-17-10(8)4-3-9(12)13(15)11-2-1-6-16-11/h1-7,14H
InChIKeyJEICZTRJOVXIII-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.90
Rot. Bonds2

About (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone

(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone (PubChem CID 139795818) has the molecular formula C13H8O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone
PubChem CID139795818
Molecular FormulaC13H8O2S2
Molecular Weight260.34 g/mol
Exact Mass260.00
IUPAC Name(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1ccc2sccc2c1O
InChIInChI=1S/C13H8O2S2/c14-12-8-5-7-17-10(8)4-3-9(12)13(15)11-2-1-6-16-11/h1-7,14H
InChIKeyJEICZTRJOVXIII-UHFFFAOYSA-N
XLogP3.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
(E)-1-(4-hydroxy-1-benzothiophen-5-yl)-3-phenylprop-2-en-1-one
CID 5274455
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
CID 5082064
(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethanone
CID 13404184
(4-methoxy-2,3-dimethylphenyl)-thiophen-2-ylmethanone
CID 57091683
(2,4-difluorophenyl)-thiophen-2-ylmethanone
CID 43160742
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
(5-hydroxy-1-benzofuran-3-yl)-thiophen-2-ylmethanone
CID 674272
sodium thiophene-2-carboxylate
CID 23672340
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone?
The IUPAC name of (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone (CID 139795818) is (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1ccc2sccc2c1O.
What is the InChIKey of (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone?
The InChIKey is JEICZTRJOVXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S2/c14-12-8-5-7-17-10(8)4-3-9(12)13(15)11-2-1-6-16-11/h1-7,14H.
What are the key properties of (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone?
(4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone has a molecular weight of 260.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-benzothiophen-5-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 139795818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).