3-methylsulfanyl-5-methylsulfinylphenol

C8H10O2S2 — CID 85373524

IUPAC3-methylsulfanyl-5-methylsulfinylphenol
SMILESCSc1cc(O)cc(S(C)=O)c1
InChIInChI=1S/C8H10O2S2/c1-11-7-3-6(9)4-8(5-7)12(2)10/h3-5,9H,1-2H3
InChIKeyFCBBSISHCKUSTB-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.85
Rot. Bonds2

About 3-methylsulfanyl-5-methylsulfinylphenol

3-methylsulfanyl-5-methylsulfinylphenol (PubChem CID 85373524) has the molecular formula C8H10O2S2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-methylsulfanyl-5-methylsulfinylphenol.

Molecular Properties

Compound Name3-methylsulfanyl-5-methylsulfinylphenol
PubChem CID85373524
Molecular FormulaC8H10O2S2
Molecular Weight202.30 g/mol
Exact Mass202.01
IUPAC Name3-methylsulfanyl-5-methylsulfinylphenol
SMILESCSc1cc(O)cc(S(C)=O)c1
InChIInChI=1S/C8H10O2S2/c1-11-7-3-6(9)4-8(5-7)12(2)10/h3-5,9H,1-2H3
InChIKeyFCBBSISHCKUSTB-UHFFFAOYSA-N
XLogP1.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methylsulfanyl-5-methylsulfinylphenol 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-methylsulfanyl-5-methylsulfinylphenol?
The IUPAC name of 3-methylsulfanyl-5-methylsulfinylphenol (CID 85373524) is 3-methylsulfanyl-5-methylsulfinylphenol.
What is the SMILES notation for 3-methylsulfanyl-5-methylsulfinylphenol?
The canonical SMILES for 3-methylsulfanyl-5-methylsulfinylphenol is CSc1cc(O)cc(S(C)=O)c1.
What is the InChIKey of 3-methylsulfanyl-5-methylsulfinylphenol?
The InChIKey is FCBBSISHCKUSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S2/c1-11-7-3-6(9)4-8(5-7)12(2)10/h3-5,9H,1-2H3.
What are the key properties of 3-methylsulfanyl-5-methylsulfinylphenol?
3-methylsulfanyl-5-methylsulfinylphenol has a molecular weight of 202.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-5-methylsulfinylphenol is sourced from PubChem (CID 85373524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).