2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol

C8H10OS — CID 163550529

IUPAC2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol
SMILESOC1CC2C=CC=CC2S1
InChIInChI=1S/C8H10OS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,6-9H,5H2
InChIKeyFIRLDUPPKJGOSV-UHFFFAOYSA-N
MW154.23 g/mol
LogP1.55
Rot. Bonds

About 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol

2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol (PubChem CID 163550529) has the molecular formula C8H10OS and a molecular weight of 154.23 g/mol. Its IUPAC name is 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol.

Molecular Properties

Compound Name2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol
PubChem CID163550529
Molecular FormulaC8H10OS
Molecular Weight154.23 g/mol
Exact Mass154.05
IUPAC Name2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol
SMILESOC1CC2C=CC=CC2S1
InChIInChI=1S/C8H10OS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,6-9H,5H2
InChIKeyFIRLDUPPKJGOSV-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol?
The IUPAC name of 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol (CID 163550529) is 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol.
What is the SMILES notation for 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol?
The canonical SMILES for 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol is OC1CC2C=CC=CC2S1.
What is the InChIKey of 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol?
The InChIKey is FIRLDUPPKJGOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS/c9-8-5-6-3-1-2-4-7(6)10-8/h1-4,6-9H,5H2.
What are the key properties of 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol?
2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol has a molecular weight of 154.23 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,7a-tetrahydro-1-benzothiophen-2-ol is sourced from PubChem (CID 163550529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).