1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide

C12H10O2S — CID 1236726

IUPAC1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide
SMILESO=S1(=O)Cc2cc3ccccc3cc2C1
InChIInChI=1S/C12H10O2S/c13-15(14)7-11-5-9-3-1-2-4-10(9)6-12(11)8-15/h1-6H,7-8H2
InChIKeyGVRKIZJTWOAMRZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.27
Rot. Bonds

About 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide

1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide (PubChem CID 1236726) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide.

Molecular Properties

Compound Name1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide
PubChem CID1236726
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide
SMILESO=S1(=O)Cc2cc3ccccc3cc2C1
InChIInChI=1S/C12H10O2S/c13-15(14)7-11-5-9-3-1-2-4-10(9)6-12(11)8-15/h1-6H,7-8H2
InChIKeyGVRKIZJTWOAMRZ-UHFFFAOYSA-N
XLogP2.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide?
The IUPAC name of 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide (CID 1236726) is 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide.
What is the SMILES notation for 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide?
The canonical SMILES for 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide is O=S1(=O)Cc2cc3ccccc3cc2C1.
What is the InChIKey of 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide?
The InChIKey is GVRKIZJTWOAMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c13-15(14)7-11-5-9-3-1-2-4-10(9)6-12(11)8-15/h1-6H,7-8H2.
What are the key properties of 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide?
1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide has a molecular weight of 218.28 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 1,3-dihydrobenzo[f][2]benzothiole 2,2-dioxide is sourced from PubChem (CID 1236726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).