1-methylsulfanyl-2-methylsulfinylbenzene

C8H10OS2 — CID 54387516

IUPAC1-methylsulfanyl-2-methylsulfinylbenzene
SMILESCSc1ccccc1S(C)=O
InChIInChI=1S/C8H10OS2/c1-10-7-5-3-4-6-8(7)11(2)9/h3-6H,1-2H3
InChIKeyIHGSVBSYQHDGNL-UHFFFAOYSA-N
MW186.30 g/mol
LogP2.15
Rot. Bonds2

About 1-methylsulfanyl-2-methylsulfinylbenzene

1-methylsulfanyl-2-methylsulfinylbenzene (PubChem CID 54387516) has the molecular formula C8H10OS2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methylsulfanyl-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-methylsulfanyl-2-methylsulfinylbenzene
PubChem CID54387516
Molecular FormulaC8H10OS2
Molecular Weight186.30 g/mol
Exact Mass186.02
IUPAC Name1-methylsulfanyl-2-methylsulfinylbenzene
SMILESCSc1ccccc1S(C)=O
InChIInChI=1S/C8H10OS2/c1-10-7-5-3-4-6-8(7)11(2)9/h3-6H,1-2H3
InChIKeyIHGSVBSYQHDGNL-UHFFFAOYSA-N
XLogP2.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methylsulfanyl-2-methylsulfinylbenzene 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-methylsulfanyl-2-methylsulfinylbenzene?
The IUPAC name of 1-methylsulfanyl-2-methylsulfinylbenzene (CID 54387516) is 1-methylsulfanyl-2-methylsulfinylbenzene.
What is the SMILES notation for 1-methylsulfanyl-2-methylsulfinylbenzene?
The canonical SMILES for 1-methylsulfanyl-2-methylsulfinylbenzene is CSc1ccccc1S(C)=O.
What is the InChIKey of 1-methylsulfanyl-2-methylsulfinylbenzene?
The InChIKey is IHGSVBSYQHDGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2/c1-10-7-5-3-4-6-8(7)11(2)9/h3-6H,1-2H3.
What are the key properties of 1-methylsulfanyl-2-methylsulfinylbenzene?
1-methylsulfanyl-2-methylsulfinylbenzene has a molecular weight of 186.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-2-methylsulfinylbenzene is sourced from PubChem (CID 54387516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).