1-methylsulfinylcyclohexa-1,3-diene

C7H10OS — CID 22622306

IUPAC1-methylsulfinylcyclohexa-1,3-diene
SMILESCS(=O)C1=CC=CCC1
InChIInChI=1S/C7H10OS/c1-9(8)7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKeyIZQUITCWBFOYSG-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.60
Rot. Bonds1

About 1-methylsulfinylcyclohexa-1,3-diene

1-methylsulfinylcyclohexa-1,3-diene (PubChem CID 22622306) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 1-methylsulfinylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-methylsulfinylcyclohexa-1,3-diene
PubChem CID22622306
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name1-methylsulfinylcyclohexa-1,3-diene
SMILESCS(=O)C1=CC=CCC1
InChIInChI=1S/C7H10OS/c1-9(8)7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3
InChIKeyIZQUITCWBFOYSG-UHFFFAOYSA-N
XLogP1.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methylsulfinylcyclohexa-1,3-diene 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-methylsulfinylcyclohexa-1,3-diene?
The IUPAC name of 1-methylsulfinylcyclohexa-1,3-diene (CID 22622306) is 1-methylsulfinylcyclohexa-1,3-diene.
What is the SMILES notation for 1-methylsulfinylcyclohexa-1,3-diene?
The canonical SMILES for 1-methylsulfinylcyclohexa-1,3-diene is CS(=O)C1=CC=CCC1.
What is the InChIKey of 1-methylsulfinylcyclohexa-1,3-diene?
The InChIKey is IZQUITCWBFOYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-9(8)7-5-3-2-4-6-7/h2-3,5H,4,6H2,1H3.
What are the key properties of 1-methylsulfinylcyclohexa-1,3-diene?
1-methylsulfinylcyclohexa-1,3-diene has a molecular weight of 142.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinylcyclohexa-1,3-diene is sourced from PubChem (CID 22622306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).