3a,8b-dihydro-[1]benzothiolo[2,3-b]furan

C10H8OS — CID 156700046

IUPAC3a,8b-dihydro-[1]benzothiolo[2,3-b]furan
SMILESC1=CC2c3ccccc3SC2O1
InChIInChI=1S/C10H8OS/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-6,8,10H
InChIKeyUHZQWHZWYWICOV-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.75
Rot. Bonds

About 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan

3a,8b-dihydro-[1]benzothiolo[2,3-b]furan (PubChem CID 156700046) has the molecular formula C10H8OS and a molecular weight of 176.24 g/mol. Its IUPAC name is 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan.

Molecular Properties

Compound Name3a,8b-dihydro-[1]benzothiolo[2,3-b]furan
PubChem CID156700046
Molecular FormulaC10H8OS
Molecular Weight176.24 g/mol
Exact Mass176.03
IUPAC Name3a,8b-dihydro-[1]benzothiolo[2,3-b]furan
SMILESC1=CC2c3ccccc3SC2O1
InChIInChI=1S/C10H8OS/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-6,8,10H
InChIKeyUHZQWHZWYWICOV-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan?
The IUPAC name of 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan (CID 156700046) is 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan.
What is the SMILES notation for 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan?
The canonical SMILES for 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan is C1=CC2c3ccccc3SC2O1.
What is the InChIKey of 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan?
The InChIKey is UHZQWHZWYWICOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8OS/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-6,8,10H.
What are the key properties of 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan?
3a,8b-dihydro-[1]benzothiolo[2,3-b]furan has a molecular weight of 176.24 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,8b-dihydro-[1]benzothiolo[2,3-b]furan is sourced from PubChem (CID 156700046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).