3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

C12H10O2S3 — CID 2822205

IUPAC3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CC(Sc2cccs2)c2ccccc21
InChIInChI=1S/C12H10O2S3/c13-17(14)8-10(16-12-6-3-7-15-12)9-4-1-2-5-11(9)17/h1-7,10H,8H2
InChIKeySXNMELIPUBXGDT-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.37
Rot. Bonds2

About 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide

3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (PubChem CID 2822205) has the molecular formula C12H10O2S3 and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
PubChem CID2822205
Molecular FormulaC12H10O2S3
Molecular Weight282.41 g/mol
Exact Mass281.98
IUPAC Name3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide
SMILESO=S1(=O)CC(Sc2cccs2)c2ccccc21
InChIInChI=1S/C12H10O2S3/c13-17(14)8-10(16-12-6-3-7-15-12)9-4-1-2-5-11(9)17/h1-7,10H,8H2
InChIKeySXNMELIPUBXGDT-UHFFFAOYSA-N
XLogP3.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The IUPAC name of 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide (CID 2822205) is 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide.
What is the SMILES notation for 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The canonical SMILES for 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is O=S1(=O)CC(Sc2cccs2)c2ccccc21.
What is the InChIKey of 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
The InChIKey is SXNMELIPUBXGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S3/c13-17(14)8-10(16-12-6-3-7-15-12)9-4-1-2-5-11(9)17/h1-7,10H,8H2.
What are the key properties of 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide?
3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide has a molecular weight of 282.41 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylsulfanyl-2,3-dihydro-1-benzothiophene 1,1-dioxide is sourced from PubChem (CID 2822205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).