5,6-dihydro-4H-1-benzothiophen-7-one

C8H8OS — CID 10374628

IUPAC5,6-dihydro-4H-1-benzothiophen-7-one
SMILESO=C1CCCc2ccsc21
InChIInChI=1S/C8H8OS/c9-7-3-1-2-6-4-5-10-8(6)7/h4-5H,1-3H2
InChIKeyJEJQJCKVMQVOHZ-UHFFFAOYSA-N
MW152.22 g/mol
LogP2.27
Rot. Bonds

About 5,6-dihydro-4H-1-benzothiophen-7-one

5,6-dihydro-4H-1-benzothiophen-7-one (PubChem CID 10374628) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 5,6-dihydro-4H-1-benzothiophen-7-one.

Molecular Properties

Compound Name5,6-dihydro-4H-1-benzothiophen-7-one
PubChem CID10374628
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name5,6-dihydro-4H-1-benzothiophen-7-one
SMILESO=C1CCCc2ccsc21
InChIInChI=1S/C8H8OS/c9-7-3-1-2-6-4-5-10-8(6)7/h4-5H,1-3H2
InChIKeyJEJQJCKVMQVOHZ-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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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-1-benzothiophen-7-one?
The IUPAC name of 5,6-dihydro-4H-1-benzothiophen-7-one (CID 10374628) is 5,6-dihydro-4H-1-benzothiophen-7-one.
What is the SMILES notation for 5,6-dihydro-4H-1-benzothiophen-7-one?
The canonical SMILES for 5,6-dihydro-4H-1-benzothiophen-7-one is O=C1CCCc2ccsc21.
What is the InChIKey of 5,6-dihydro-4H-1-benzothiophen-7-one?
The InChIKey is JEJQJCKVMQVOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c9-7-3-1-2-6-4-5-10-8(6)7/h4-5H,1-3H2.
What are the key properties of 5,6-dihydro-4H-1-benzothiophen-7-one?
5,6-dihydro-4H-1-benzothiophen-7-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 5,6-dihydro-4H-1-benzothiophen-7-one is sourced from PubChem (CID 10374628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).