2-methyl-1-benzothiophene-3-sulfonyl chloride

C9H7ClO2S2 — CID 22998449

IUPAC2-methyl-1-benzothiophene-3-sulfonyl chloride
SMILESCc1sc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClO2S2/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChIKeyOPIFKAGXIKNRIR-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.14
Rot. Bonds1

About 2-methyl-1-benzothiophene-3-sulfonyl chloride

2-methyl-1-benzothiophene-3-sulfonyl chloride (PubChem CID 22998449) has the molecular formula C9H7ClO2S2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-methyl-1-benzothiophene-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-benzothiophene-3-sulfonyl chloride
PubChem CID22998449
Molecular FormulaC9H7ClO2S2
Molecular Weight246.74 g/mol
Exact Mass245.96
IUPAC Name2-methyl-1-benzothiophene-3-sulfonyl chloride
SMILESCc1sc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C9H7ClO2S2/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3
InChIKeyOPIFKAGXIKNRIR-UHFFFAOYSA-N
XLogP3.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzothiophene-3-sulfonyl chloride?
The IUPAC name of 2-methyl-1-benzothiophene-3-sulfonyl chloride (CID 22998449) is 2-methyl-1-benzothiophene-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-benzothiophene-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-benzothiophene-3-sulfonyl chloride is Cc1sc2ccccc2c1S(=O)(=O)Cl.
What is the InChIKey of 2-methyl-1-benzothiophene-3-sulfonyl chloride?
The InChIKey is OPIFKAGXIKNRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S2/c1-6-9(14(10,11)12)7-4-2-3-5-8(7)13-6/h2-5H,1H3.
What are the key properties of 2-methyl-1-benzothiophene-3-sulfonyl chloride?
2-methyl-1-benzothiophene-3-sulfonyl chloride has a molecular weight of 246.74 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-benzothiophene-3-sulfonyl chloride is sourced from PubChem (CID 22998449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).