3-methyl-1-benzothiophene-4-sulfonyl chloride

C9H7ClO2S2 — CID 83825267

IUPAC3-methyl-1-benzothiophene-4-sulfonyl chloride
SMILESCc1csc2cccc(S(=O)(=O)Cl)c12
InChIInChI=1S/C9H7ClO2S2/c1-6-5-13-7-3-2-4-8(9(6)7)14(10,11)12/h2-5H,1H3
InChIKeyIELFAMOXMDFEQX-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.14
Rot. Bonds1

About 3-methyl-1-benzothiophene-4-sulfonyl chloride

3-methyl-1-benzothiophene-4-sulfonyl chloride (PubChem CID 83825267) has the molecular formula C9H7ClO2S2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-methyl-1-benzothiophene-4-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-1-benzothiophene-4-sulfonyl chloride
PubChem CID83825267
Molecular FormulaC9H7ClO2S2
Molecular Weight246.74 g/mol
Exact Mass245.96
IUPAC Name3-methyl-1-benzothiophene-4-sulfonyl chloride
SMILESCc1csc2cccc(S(=O)(=O)Cl)c12
InChIInChI=1S/C9H7ClO2S2/c1-6-5-13-7-3-2-4-8(9(6)7)14(10,11)12/h2-5H,1H3
InChIKeyIELFAMOXMDFEQX-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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Related Compounds

3-methyl-1-benzofuran-4-sulfonyl chloride
CID 83823871
ethane;4-fluoro-3-methyl-1-benzothiophene
CID 176569094
6-methyl-1-benzothiophene-3-sulfonyl chloride
CID 116646210
3-methyl-1-benzothiophene-5-sulfonyl chloride
CID 82384166
3-methyl-5H-thieno[3,2-c]pyridin-4-one
CID 11600726
4-methylthiophene-3-sulfonyl chloride
CID 23261674
1-benzothiophen-3-yl-chloro-methylidene-oxo-λ6-sulfane
CID 143711976
3-iodo-2-methylbenzenesulfonyl chloride
CID 112694305
2-chloro-1,3-benzothiazole-4-sulfonyl chloride
CID 54485520
1-benzothiophene-7-sulfonyl chloride
CID 15158616
3,5-dimethyl-1-benzothiophen-4-ol
CID 91882001
1-(4-methyl-1-benzothiophen-3-yl)ethanamine
CID 117119248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzothiophene-4-sulfonyl chloride?
The IUPAC name of 3-methyl-1-benzothiophene-4-sulfonyl chloride (CID 83825267) is 3-methyl-1-benzothiophene-4-sulfonyl chloride.
What is the SMILES notation for 3-methyl-1-benzothiophene-4-sulfonyl chloride?
The canonical SMILES for 3-methyl-1-benzothiophene-4-sulfonyl chloride is Cc1csc2cccc(S(=O)(=O)Cl)c12.
What is the InChIKey of 3-methyl-1-benzothiophene-4-sulfonyl chloride?
The InChIKey is IELFAMOXMDFEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S2/c1-6-5-13-7-3-2-4-8(9(6)7)14(10,11)12/h2-5H,1H3.
What are the key properties of 3-methyl-1-benzothiophene-4-sulfonyl chloride?
3-methyl-1-benzothiophene-4-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-4-sulfonyl chloride is sourced from PubChem (CID 83825267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).