7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide

C8H7BrO2S — CID 21341970

IUPAC7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CCc2cccc(Br)c21
InChIInChI=1S/C8H7BrO2S/c9-7-3-1-2-6-4-5-12(10,11)8(6)7/h1-3H,4-5H2
InChIKeyOMRJHGUYIKZILS-UHFFFAOYSA-N
MW247.11 g/mol
LogP1.78
Rot. Bonds

About 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide

7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 21341970) has the molecular formula C8H7BrO2S and a molecular weight of 247.11 g/mol. Its IUPAC name is 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID21341970
Molecular FormulaC8H7BrO2S
Molecular Weight247.11 g/mol
Exact Mass245.94
IUPAC Name7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CCc2cccc(Br)c21
InChIInChI=1S/C8H7BrO2S/c9-7-3-1-2-6-4-5-12(10,11)8(6)7/h1-3H,4-5H2
InChIKeyOMRJHGUYIKZILS-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 21341970) is 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide is O=S1(=O)CCc2cccc(Br)c21.
What is the InChIKey of 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is OMRJHGUYIKZILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2S/c9-7-3-1-2-6-4-5-12(10,11)8(6)7/h1-3H,4-5H2.
What are the key properties of 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide?
7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 247.11 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 21341970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).