5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene

C10H9ClO2S2 — CID 58861002

IUPAC5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
SMILESCc1c(S(C)(=O)=O)sc2ccc(Cl)cc12
InChIInChI=1S/C10H9ClO2S2/c1-6-8-5-7(11)3-4-9(8)14-10(6)15(2,12)13/h3-5H,1-2H3
InChIKeyGUBBZCXOHNMKLN-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.27
Rot. Bonds1

About 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene

5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene (PubChem CID 58861002) has the molecular formula C10H9ClO2S2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
PubChem CID58861002
Molecular FormulaC10H9ClO2S2
Molecular Weight260.77 g/mol
Exact Mass259.97
IUPAC Name5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene
SMILESCc1c(S(C)(=O)=O)sc2ccc(Cl)cc12
InChIInChI=1S/C10H9ClO2S2/c1-6-8-5-7(11)3-4-9(8)14-10(6)15(2,12)13/h3-5H,1-2H3
InChIKeyGUBBZCXOHNMKLN-UHFFFAOYSA-N
XLogP3.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene?
The IUPAC name of 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene (CID 58861002) is 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene.
What is the SMILES notation for 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene?
The canonical SMILES for 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene is Cc1c(S(C)(=O)=O)sc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene?
The InChIKey is GUBBZCXOHNMKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO2S2/c1-6-8-5-7(11)3-4-9(8)14-10(6)15(2,12)13/h3-5H,1-2H3.
What are the key properties of 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene?
5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene has a molecular weight of 260.77 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-2-methylsulfonyl-1-benzothiophene is sourced from PubChem (CID 58861002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).