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

C9H7ClO2S2 — CID 2736815

IUPAC3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2ccccc12
InChIInChI=1S/C9H7ClO2S2/c1-6-7-4-2-3-5-8(7)13-9(6)14(10,11)12/h2-5H,1H3
InChIKeyZYWPTEYCYRLUSL-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.14
Rot. Bonds1

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

3-methyl-1-benzothiophene-2-sulfonyl chloride (PubChem CID 2736815) has the molecular formula C9H7ClO2S2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-methyl-1-benzothiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-1-benzothiophene-2-sulfonyl chloride
PubChem CID2736815
Molecular FormulaC9H7ClO2S2
Molecular Weight246.74 g/mol
Exact Mass245.96
IUPAC Name3-methyl-1-benzothiophene-2-sulfonyl chloride
SMILESCc1c(S(=O)(=O)Cl)sc2ccccc12
InChIInChI=1S/C9H7ClO2S2/c1-6-7-4-2-3-5-8(7)13-9(6)14(10,11)12/h2-5H,1H3
InChIKeyZYWPTEYCYRLUSL-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 3-methyl-1-benzothiophene-2-sulfonyl chloride?
The IUPAC name of 3-methyl-1-benzothiophene-2-sulfonyl chloride (CID 2736815) is 3-methyl-1-benzothiophene-2-sulfonyl chloride.
What is the SMILES notation for 3-methyl-1-benzothiophene-2-sulfonyl chloride?
The canonical SMILES for 3-methyl-1-benzothiophene-2-sulfonyl chloride is Cc1c(S(=O)(=O)Cl)sc2ccccc12.
What is the InChIKey of 3-methyl-1-benzothiophene-2-sulfonyl chloride?
The InChIKey is ZYWPTEYCYRLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S2/c1-6-7-4-2-3-5-8(7)13-9(6)14(10,11)12/h2-5H,1H3.
What are the key properties of 3-methyl-1-benzothiophene-2-sulfonyl chloride?
3-methyl-1-benzothiophene-2-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 3-methyl-1-benzothiophene-2-sulfonyl chloride is sourced from PubChem (CID 2736815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).