1-benzothiophene 1-oxide

C8H6OS — CID 5383918

IUPAC1-benzothiophene 1-oxide
SMILESO=S1C=Cc2ccccc21
InChIInChI=1S/C8H6OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H
InChIKeyTVBBBGXDQQURHJ-UHFFFAOYSA-N
MW150.20 g/mol
LogP1.78
Rot. Bonds

About 1-benzothiophene 1-oxide

1-benzothiophene 1-oxide (PubChem CID 5383918) has the molecular formula C8H6OS and a molecular weight of 150.20 g/mol. Its IUPAC name is 1-benzothiophene 1-oxide.

Molecular Properties

Compound Name1-benzothiophene 1-oxide
PubChem CID5383918
Molecular FormulaC8H6OS
Molecular Weight150.20 g/mol
Exact Mass150.01
IUPAC Name1-benzothiophene 1-oxide
SMILESO=S1C=Cc2ccccc21
InChIInChI=1S/C8H6OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H
InChIKeyTVBBBGXDQQURHJ-UHFFFAOYSA-N
XLogP1.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene 1-oxide?
The IUPAC name of 1-benzothiophene 1-oxide (CID 5383918) is 1-benzothiophene 1-oxide.
What is the SMILES notation for 1-benzothiophene 1-oxide?
The canonical SMILES for 1-benzothiophene 1-oxide is O=S1C=Cc2ccccc21.
What is the InChIKey of 1-benzothiophene 1-oxide?
The InChIKey is TVBBBGXDQQURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H.
What are the key properties of 1-benzothiophene 1-oxide?
1-benzothiophene 1-oxide has a molecular weight of 150.20 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene 1-oxide is sourced from PubChem (CID 5383918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).