5-chloro-3-methyl-1-benzothiophene 1,1-dioxide

C9H7ClO2S — CID 736795

IUPAC5-chloro-3-methyl-1-benzothiophene 1,1-dioxide
SMILESCC1=CS(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C9H7ClO2S/c1-6-5-13(11,12)9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKeyGYZFDGWHPWNEKL-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.49
Rot. Bonds

About 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide

5-chloro-3-methyl-1-benzothiophene 1,1-dioxide (PubChem CID 736795) has the molecular formula C9H7ClO2S and a molecular weight of 214.67 g/mol. Its IUPAC name is 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name5-chloro-3-methyl-1-benzothiophene 1,1-dioxide
PubChem CID736795
Molecular FormulaC9H7ClO2S
Molecular Weight214.67 g/mol
Exact Mass213.99
IUPAC Name5-chloro-3-methyl-1-benzothiophene 1,1-dioxide
SMILESCC1=CS(=O)(=O)c2ccc(Cl)cc21
InChIInChI=1S/C9H7ClO2S/c1-6-5-13(11,12)9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChIKeyGYZFDGWHPWNEKL-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-3-methyl-1-benzothiophene 1,1-dioxide?
The IUPAC name of 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide (CID 736795) is 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide is CC1=CS(=O)(=O)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide?
The InChIKey is GYZFDGWHPWNEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S/c1-6-5-13(11,12)9-3-2-7(10)4-8(6)9/h2-5H,1H3.
What are the key properties of 5-chloro-3-methyl-1-benzothiophene 1,1-dioxide?
5-chloro-3-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-3-methyl-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 736795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).