6,7-dihydro-5H-2-benzothiophen-4-one

C8H8OS — CID 22132976

IUPAC6,7-dihydro-5H-2-benzothiophen-4-one
SMILESO=C1CCCc2cscc21
InChIInChI=1S/C8H8OS/c9-8-3-1-2-6-4-10-5-7(6)8/h4-5H,1-3H2
InChIKeyMLMGMSCPGWNJLN-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.27
Rot. Bonds

About 6,7-dihydro-5H-2-benzothiophen-4-one

6,7-dihydro-5H-2-benzothiophen-4-one (PubChem CID 22132976) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 6,7-dihydro-5H-2-benzothiophen-4-one.

Molecular Properties

Compound Name6,7-dihydro-5H-2-benzothiophen-4-one
PubChem CID22132976
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name6,7-dihydro-5H-2-benzothiophen-4-one
SMILESO=C1CCCc2cscc21
InChIInChI=1S/C8H8OS/c9-8-3-1-2-6-4-10-5-7(6)8/h4-5H,1-3H2
InChIKeyMLMGMSCPGWNJLN-UHFFFAOYSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-4-oxothionaphthene
CID 83418
4,5,6,7-Tetrahydro-1-benzothiophen-7-one
CID 10374628
2,6-Dithia-s-indacene-4,8-dione
CID 288498
3-(Methylthio)-6,7-dihydrobenzo[c]thiophen-4(5H)-one
CID 10330372
(5E)-5-(dimethylaminomethylidene)-3-methylsulfanyl-6,7-dihydro-2-benzothiophen-4-one
CID 2820244
Benzo[c]thiophen-4(5H)-one, 5-[(dimethylamino)methylene]-6,7-dihydro-3-(methylthio)-
CID 3793632
6,6-Dimethyl-3-methylsulfanyl-5,7-dihydro-2-benzothiophen-4-one
CID 2820222
Cyclohexyl(thiophen-3-yl)methanone
CID 14594749
(1R,7aS)-1-thiophen-3-yl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 10889386
1,3-Dimethyl-6,7-dihydrobenzo[c]thiophen-4(5H)-one
CID 5200260
1-(4-Methylthiophen-3-yl)butan-1-one
CID 80232354
6,7-Dihydro-6,6-dimethyl-3-(methylsulfinyl)benzo[c]thiophen-4(5H)-one
CID 2820291

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-2-benzothiophen-4-one?
The IUPAC name of 6,7-dihydro-5H-2-benzothiophen-4-one (CID 22132976) is 6,7-dihydro-5H-2-benzothiophen-4-one.
What is the SMILES notation for 6,7-dihydro-5H-2-benzothiophen-4-one?
The canonical SMILES for 6,7-dihydro-5H-2-benzothiophen-4-one is O=C1CCCc2cscc21.
What is the InChIKey of 6,7-dihydro-5H-2-benzothiophen-4-one?
The InChIKey is MLMGMSCPGWNJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c9-8-3-1-2-6-4-10-5-7(6)8/h4-5H,1-3H2.
What are the key properties of 6,7-dihydro-5H-2-benzothiophen-4-one?
6,7-dihydro-5H-2-benzothiophen-4-one has a molecular weight of 152.22 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-2-benzothiophen-4-one is sourced from PubChem (CID 22132976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).