3-methyl-1-benzothiophene-5-sulfonyl chloride

C9H7ClO2S2 — CID 82384166

IUPAC3-methyl-1-benzothiophene-5-sulfonyl chloride
SMILESCc1csc2ccc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C9H7ClO2S2/c1-6-5-13-9-3-2-7(4-8(6)9)14(10,11)12/h2-5H,1H3
InChIKeyMWDWBZUPTXVSNR-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.14
Rot. Bonds1

About 3-methyl-1-benzothiophene-5-sulfonyl chloride

3-methyl-1-benzothiophene-5-sulfonyl chloride (PubChem CID 82384166) has the molecular formula C9H7ClO2S2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-methyl-1-benzothiophene-5-sulfonyl chloride.

Molecular Properties

Compound Name3-methyl-1-benzothiophene-5-sulfonyl chloride
PubChem CID82384166
Molecular FormulaC9H7ClO2S2
Molecular Weight246.74 g/mol
Exact Mass245.96
IUPAC Name3-methyl-1-benzothiophene-5-sulfonyl chloride
SMILESCc1csc2ccc(S(=O)(=O)Cl)cc12
InChIInChI=1S/C9H7ClO2S2/c1-6-5-13-9-3-2-7(4-8(6)9)14(10,11)12/h2-5H,1H3
InChIKeyMWDWBZUPTXVSNR-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

actinium;(3-methyl-1-benzothiophen-5-yl)azanide
CID 20824575
1,3-dimethylindole-5-sulfonyl chloride
CID 83825091
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
(3-methyl-1-benzothiophen-5-yl)carbamic acid
CID 154998144
(3-methyl-1-benzothiophen-5-yl)methanamine;hydrochloride
CID 154814321
5-methylnaphthalene-2-sulfonyl chloride
CID 55280265
3-methyl-1-benzothiophene-4-sulfonyl chloride
CID 83825267
3-methyl-1-benzothiophene;zinc
CID 70563074
6-methyl-1-benzothiophene-3-sulfonyl chloride
CID 116646210
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
N-[(3-methyl-1-benzothiophen-5-yl)methyl]acetamide
CID 20824651

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-benzothiophene-5-sulfonyl chloride?
The IUPAC name of 3-methyl-1-benzothiophene-5-sulfonyl chloride (CID 82384166) is 3-methyl-1-benzothiophene-5-sulfonyl chloride.
What is the SMILES notation for 3-methyl-1-benzothiophene-5-sulfonyl chloride?
The canonical SMILES for 3-methyl-1-benzothiophene-5-sulfonyl chloride is Cc1csc2ccc(S(=O)(=O)Cl)cc12.
What is the InChIKey of 3-methyl-1-benzothiophene-5-sulfonyl chloride?
The InChIKey is MWDWBZUPTXVSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2S2/c1-6-5-13-9-3-2-7(4-8(6)9)14(10,11)12/h2-5H,1H3.
What are the key properties of 3-methyl-1-benzothiophene-5-sulfonyl chloride?
3-methyl-1-benzothiophene-5-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-5-sulfonyl chloride is sourced from PubChem (CID 82384166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).