2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

C9H10O2S — CID 4252604

IUPAC2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESCC1Cc2ccccc2S1(=O)=O
InChIInChI=1S/C9H10O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-5,7H,6H2,1H3
InChIKeyJYOGGEJXQNWMET-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.40
Rot. Bonds

About 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 4252604) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID4252604
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESCC1Cc2ccccc2S1(=O)=O
InChIInChI=1S/C9H10O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-5,7H,6H2,1H3
InChIKeyJYOGGEJXQNWMET-UHFFFAOYSA-N
XLogP1.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 4252604) is 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is CC1Cc2ccccc2S1(=O)=O.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is JYOGGEJXQNWMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-5,7H,6H2,1H3.
What are the key properties of 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 182.24 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 4252604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).