5-chloro-2-methyl-1-benzothiophene 1,1-dioxide

C9H7ClO2S — CID 20616771

IUPAC5-chloro-2-methyl-1-benzothiophene 1,1-dioxide
SMILESCC1=Cc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C9H7ClO2S/c1-6-4-7-5-8(10)2-3-9(7)13(6,11)12/h2-5H,1H3
InChIKeyWYVVYKLGUYIUFK-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.49
Rot. Bonds

About 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide

5-chloro-2-methyl-1-benzothiophene 1,1-dioxide (PubChem CID 20616771) has the molecular formula C9H7ClO2S and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-2-methyl-1-benzothiophene 1,1-dioxide
PubChem CID20616771
Molecular FormulaC9H7ClO2S
Molecular Weight214.67 g/mol
Exact Mass213.99
IUPAC Name5-chloro-2-methyl-1-benzothiophene 1,1-dioxide
SMILESCC1=Cc2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C9H7ClO2S/c1-6-4-7-5-8(10)2-3-9(7)13(6,11)12/h2-5H,1H3
InChIKeyWYVVYKLGUYIUFK-UHFFFAOYSA-N
XLogP2.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide (CID 20616771) is 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide is CC1=Cc2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide?
The InChIKey is WYVVYKLGUYIUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S/c1-6-4-7-5-8(10)2-3-9(7)13(6,11)12/h2-5H,1H3.
What are the key properties of 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide?
5-chloro-2-methyl-1-benzothiophene 1,1-dioxide has a molecular weight of 214.67 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 20616771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).