2-ethenylsulfanylsulfonyl-1-benzothiophene

C10H8O2S3 — CID 126641296

IUPAC2-ethenylsulfanylsulfonyl-1-benzothiophene
SMILESC=CSS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H8O2S3/c1-2-13-15(11,12)10-7-8-5-3-4-6-9(8)14-10/h2-7H,1H2
InChIKeyIFBBBJRTTOKZLX-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.47
Rot. Bonds3

About 2-ethenylsulfanylsulfonyl-1-benzothiophene

2-ethenylsulfanylsulfonyl-1-benzothiophene (PubChem CID 126641296) has the molecular formula C10H8O2S3 and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-ethenylsulfanylsulfonyl-1-benzothiophene.

Molecular Properties

Compound Name2-ethenylsulfanylsulfonyl-1-benzothiophene
PubChem CID126641296
Molecular FormulaC10H8O2S3
Molecular Weight256.37 g/mol
Exact Mass255.97
IUPAC Name2-ethenylsulfanylsulfonyl-1-benzothiophene
SMILESC=CSS(=O)(=O)c1cc2ccccc2s1
InChIInChI=1S/C10H8O2S3/c1-2-13-15(11,12)10-7-8-5-3-4-6-9(8)14-10/h2-7H,1H2
InChIKeyIFBBBJRTTOKZLX-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylsulfanylsulfonyl-1-benzothiophene?
The IUPAC name of 2-ethenylsulfanylsulfonyl-1-benzothiophene (CID 126641296) is 2-ethenylsulfanylsulfonyl-1-benzothiophene.
What is the SMILES notation for 2-ethenylsulfanylsulfonyl-1-benzothiophene?
The canonical SMILES for 2-ethenylsulfanylsulfonyl-1-benzothiophene is C=CSS(=O)(=O)c1cc2ccccc2s1.
What is the InChIKey of 2-ethenylsulfanylsulfonyl-1-benzothiophene?
The InChIKey is IFBBBJRTTOKZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2S3/c1-2-13-15(11,12)10-7-8-5-3-4-6-9(8)14-10/h2-7H,1H2.
What are the key properties of 2-ethenylsulfanylsulfonyl-1-benzothiophene?
2-ethenylsulfanylsulfonyl-1-benzothiophene has a molecular weight of 256.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylsulfanylsulfonyl-1-benzothiophene is sourced from PubChem (CID 126641296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).