2,7a-dihydro-1-benzothiophene 1-oxide

C8H8OS — CID 67366195

IUPAC2,7a-dihydro-1-benzothiophene 1-oxide
SMILESO=S1CC=C2C=CC=CC21
InChIInChI=1S/C8H8OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-5,8H,6H2
InChIKeyZXQQUHFLJBDERF-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.17
Rot. Bonds

About 2,7a-dihydro-1-benzothiophene 1-oxide

2,7a-dihydro-1-benzothiophene 1-oxide (PubChem CID 67366195) has the molecular formula C8H8OS and a molecular weight of 152.22 g/mol. Its IUPAC name is 2,7a-dihydro-1-benzothiophene 1-oxide.

Molecular Properties

Compound Name2,7a-dihydro-1-benzothiophene 1-oxide
PubChem CID67366195
Molecular FormulaC8H8OS
Molecular Weight152.22 g/mol
Exact Mass152.03
IUPAC Name2,7a-dihydro-1-benzothiophene 1-oxide
SMILESO=S1CC=C2C=CC=CC21
InChIInChI=1S/C8H8OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-5,8H,6H2
InChIKeyZXQQUHFLJBDERF-UHFFFAOYSA-N
XLogP1.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7a-dihydro-1-benzothiophene 1-oxide?
The IUPAC name of 2,7a-dihydro-1-benzothiophene 1-oxide (CID 67366195) is 2,7a-dihydro-1-benzothiophene 1-oxide.
What is the SMILES notation for 2,7a-dihydro-1-benzothiophene 1-oxide?
The canonical SMILES for 2,7a-dihydro-1-benzothiophene 1-oxide is O=S1CC=C2C=CC=CC21.
What is the InChIKey of 2,7a-dihydro-1-benzothiophene 1-oxide?
The InChIKey is ZXQQUHFLJBDERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-5,8H,6H2.
What are the key properties of 2,7a-dihydro-1-benzothiophene 1-oxide?
2,7a-dihydro-1-benzothiophene 1-oxide has a molecular weight of 152.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7a-dihydro-1-benzothiophene 1-oxide is sourced from PubChem (CID 67366195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).