3-ethyl-1-benzothiophene 1,1-dioxide

C10H10O2S — CID 3797419

IUPAC3-ethyl-1-benzothiophene 1,1-dioxide
SMILESCCC1=CS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H10O2S/c1-2-8-7-13(11,12)10-6-4-3-5-9(8)10/h3-7H,2H2,1H3
InChIKeyLOKAOGJACCXIDL-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.22
Rot. Bonds1

About 3-ethyl-1-benzothiophene 1,1-dioxide

3-ethyl-1-benzothiophene 1,1-dioxide (PubChem CID 3797419) has the molecular formula C10H10O2S and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-ethyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-ethyl-1-benzothiophene 1,1-dioxide
PubChem CID3797419
Molecular FormulaC10H10O2S
Molecular Weight194.25 g/mol
Exact Mass194.04
IUPAC Name3-ethyl-1-benzothiophene 1,1-dioxide
SMILESCCC1=CS(=O)(=O)c2ccccc21
InChIInChI=1S/C10H10O2S/c1-2-8-7-13(11,12)10-6-4-3-5-9(8)10/h3-7H,2H2,1H3
InChIKeyLOKAOGJACCXIDL-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-ethyl-1-benzothiophene 1,1-dioxide (CID 3797419) is 3-ethyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-ethyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-ethyl-1-benzothiophene 1,1-dioxide is CCC1=CS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-ethyl-1-benzothiophene 1,1-dioxide?
The InChIKey is LOKAOGJACCXIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S/c1-2-8-7-13(11,12)10-6-4-3-5-9(8)10/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-1-benzothiophene 1,1-dioxide?
3-ethyl-1-benzothiophene 1,1-dioxide has a molecular weight of 194.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 3797419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).