2-methyl-3-methylsulfonyl-1-benzothiophene

C10H10O2S2 — CID 101046785

IUPAC2-methyl-3-methylsulfonyl-1-benzothiophene
SMILESCc1sc2ccccc2c1S(C)(=O)=O
InChIInChI=1S/C10H10O2S2/c1-7-10(14(2,11)12)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3
InChIKeyHPFAOXYTBRPBHE-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.61
Rot. Bonds1

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

2-methyl-3-methylsulfonyl-1-benzothiophene (PubChem CID 101046785) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-methyl-3-methylsulfonyl-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-3-methylsulfonyl-1-benzothiophene
PubChem CID101046785
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-methyl-3-methylsulfonyl-1-benzothiophene
SMILESCc1sc2ccccc2c1S(C)(=O)=O
InChIInChI=1S/C10H10O2S2/c1-7-10(14(2,11)12)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3
InChIKeyHPFAOXYTBRPBHE-UHFFFAOYSA-N
XLogP2.61
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(B)Thiophene-2-Boronic Acid
CID 2359
Benzo(B)Thiophene
CID 7221
(1-Benzothiophen-3-yl)boronic acid
CID 2776344
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
5-Methylbenzo(b)thiophene
CID 84346
1-Benzothiophene-2-Sulfonamide
CID 10680096
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
CID 284423
Benzo(b)thiophene, 2,7-dimethyl-
CID 85502
7-Methyl-1-benzothiophene
CID 6428541
(E)-2-(4-(methylsulfonyl)styryl)thiophene
CID 50908698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylsulfonyl-1-benzothiophene?
The IUPAC name of 2-methyl-3-methylsulfonyl-1-benzothiophene (CID 101046785) is 2-methyl-3-methylsulfonyl-1-benzothiophene.
What is the SMILES notation for 2-methyl-3-methylsulfonyl-1-benzothiophene?
The canonical SMILES for 2-methyl-3-methylsulfonyl-1-benzothiophene is Cc1sc2ccccc2c1S(C)(=O)=O.
What is the InChIKey of 2-methyl-3-methylsulfonyl-1-benzothiophene?
The InChIKey is HPFAOXYTBRPBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-7-10(14(2,11)12)8-5-3-4-6-9(8)13-7/h3-6H,1-2H3.
What are the key properties of 2-methyl-3-methylsulfonyl-1-benzothiophene?
2-methyl-3-methylsulfonyl-1-benzothiophene has a molecular weight of 226.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylsulfonyl-1-benzothiophene is sourced from PubChem (CID 101046785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).