3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide

C14H12O2S3 — CID 178188344

IUPAC3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide
SMILESCSc1ccc2c(c1)S(=O)(=O)c1cc(SC)ccc1-2
InChIInChI=1S/C14H12O2S3/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19(15,16)13(11)7-9/h3-8H,1-2H3
InChIKeyWRSLVLWCZJIRBH-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.94
Rot. Bonds2

About 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide

3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide (PubChem CID 178188344) has the molecular formula C14H12O2S3 and a molecular weight of 308.45 g/mol. Its IUPAC name is 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide.

Molecular Properties

Compound Name3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide
PubChem CID178188344
Molecular FormulaC14H12O2S3
Molecular Weight308.45 g/mol
Exact Mass308.00
IUPAC Name3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide
SMILESCSc1ccc2c(c1)S(=O)(=O)c1cc(SC)ccc1-2
InChIInChI=1S/C14H12O2S3/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19(15,16)13(11)7-9/h3-8H,1-2H3
InChIKeyWRSLVLWCZJIRBH-UHFFFAOYSA-N
XLogP3.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-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 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide?
The IUPAC name of 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide (CID 178188344) is 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide.
What is the SMILES notation for 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide?
The canonical SMILES for 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide is CSc1ccc2c(c1)S(=O)(=O)c1cc(SC)ccc1-2.
What is the InChIKey of 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide?
The InChIKey is WRSLVLWCZJIRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S3/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19(15,16)13(11)7-9/h3-8H,1-2H3.
What are the key properties of 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide?
3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide has a molecular weight of 308.45 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(methylsulfanyl)dibenzothiophene 5,5-dioxide is sourced from PubChem (CID 178188344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).