4,8-dimethyl-1H-isothiochromene 2,2-dioxide

C11H12O2S — CID 154712923

IUPAC4,8-dimethyl-1H-isothiochromene 2,2-dioxide
SMILESCC1=CS(=O)(=O)Cc2c(C)cccc21
InChIInChI=1S/C11H12O2S/c1-8-4-3-5-10-9(2)6-14(12,13)7-11(8)10/h3-6H,7H2,1-2H3
InChIKeyROGVSJVPLWZVFL-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.28
Rot. Bonds

About 4,8-dimethyl-1H-isothiochromene 2,2-dioxide

4,8-dimethyl-1H-isothiochromene 2,2-dioxide (PubChem CID 154712923) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 4,8-dimethyl-1H-isothiochromene 2,2-dioxide.

Molecular Properties

Compound Name4,8-dimethyl-1H-isothiochromene 2,2-dioxide
PubChem CID154712923
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name4,8-dimethyl-1H-isothiochromene 2,2-dioxide
SMILESCC1=CS(=O)(=O)Cc2c(C)cccc21
InChIInChI=1S/C11H12O2S/c1-8-4-3-5-10-9(2)6-14(12,13)7-11(8)10/h3-6H,7H2,1-2H3
InChIKeyROGVSJVPLWZVFL-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1H-isothiochromene 2,2-dioxide?
The IUPAC name of 4,8-dimethyl-1H-isothiochromene 2,2-dioxide (CID 154712923) is 4,8-dimethyl-1H-isothiochromene 2,2-dioxide.
What is the SMILES notation for 4,8-dimethyl-1H-isothiochromene 2,2-dioxide?
The canonical SMILES for 4,8-dimethyl-1H-isothiochromene 2,2-dioxide is CC1=CS(=O)(=O)Cc2c(C)cccc21.
What is the InChIKey of 4,8-dimethyl-1H-isothiochromene 2,2-dioxide?
The InChIKey is ROGVSJVPLWZVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-8-4-3-5-10-9(2)6-14(12,13)7-11(8)10/h3-6H,7H2,1-2H3.
What are the key properties of 4,8-dimethyl-1H-isothiochromene 2,2-dioxide?
4,8-dimethyl-1H-isothiochromene 2,2-dioxide has a molecular weight of 208.28 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1H-isothiochromene 2,2-dioxide is sourced from PubChem (CID 154712923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).