2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene

C10H10O2S3 — CID 91665924

IUPAC2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene
SMILESCc1sccc1S(=O)(=O)Cc1cccs1
InChIInChI=1S/C10H10O2S3/c1-8-10(4-6-13-8)15(11,12)7-9-3-2-5-14-9/h2-6H,7H2,1H3
InChIKeyTXWBUXGWLOGQRL-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.09
Rot. Bonds3

About 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene

2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene (PubChem CID 91665924) has the molecular formula C10H10O2S3 and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene.

Molecular Properties

Compound Name2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene
PubChem CID91665924
Molecular FormulaC10H10O2S3
Molecular Weight258.39 g/mol
Exact Mass257.98
IUPAC Name2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene
SMILESCc1sccc1S(=O)(=O)Cc1cccs1
InChIInChI=1S/C10H10O2S3/c1-8-10(4-6-13-8)15(11,12)7-9-3-2-5-14-9/h2-6H,7H2,1H3
InChIKeyTXWBUXGWLOGQRL-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene?
The IUPAC name of 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene (CID 91665924) is 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene.
What is the SMILES notation for 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene?
The canonical SMILES for 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene is Cc1sccc1S(=O)(=O)Cc1cccs1.
What is the InChIKey of 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene?
The InChIKey is TXWBUXGWLOGQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S3/c1-8-10(4-6-13-8)15(11,12)7-9-3-2-5-14-9/h2-6H,7H2,1H3.
What are the key properties of 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene?
2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene has a molecular weight of 258.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiophen-2-ylmethylsulfonyl)thiophene is sourced from PubChem (CID 91665924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).