2-(disulfanylsulfonyl)thiophene

C4H4O2S4 — CID 147186470

IUPAC2-(disulfanylsulfonyl)thiophene
SMILESO=S(=O)(SS)c1cccs1
InChIInChI=1S/C4H4O2S4/c5-10(6,9-7)4-2-1-3-8-4/h1-3,7H
InChIKeyCAOWRJMCOMHQCF-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.01
Rot. Bonds2

About 2-(disulfanylsulfonyl)thiophene

2-(disulfanylsulfonyl)thiophene (PubChem CID 147186470) has the molecular formula C4H4O2S4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(disulfanylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(disulfanylsulfonyl)thiophene
PubChem CID147186470
Molecular FormulaC4H4O2S4
Molecular Weight212.34 g/mol
Exact Mass211.91
IUPAC Name2-(disulfanylsulfonyl)thiophene
SMILESO=S(=O)(SS)c1cccs1
InChIInChI=1S/C4H4O2S4/c5-10(6,9-7)4-2-1-3-8-4/h1-3,7H
InChIKeyCAOWRJMCOMHQCF-UHFFFAOYSA-N
XLogP2.01
TPSA34.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-ylsulfonylsulfonylthiophene
CID 141485126
thiophene-2-(18F)sulfonyl fluoride
CID 72736656
sodium thiophene-2-sulfonic acid
CID 54603046
ethane;thiophene-2-sulfonyl chloride
CID 91564390
methyl thiophene-2-sulfonate
CID 56986285
dimethyl-sulfanyl-thiophen-2-yl-λ4-sulfane
CID 123636622
methanol;thiophene-2-sulfonamide
CID 157397427
2-propan-2-ylsulfonylthiophene
CID 22953694
N-fluorothiophene-2-sulfonamide
CID 175398216
N-sulfonylthiophene-2-sulfonamide
CID 88522112
2-(difluoromethylsulfonyl)thiophene
CID 82076235
3-thiophen-2-ylsulfonylbutan-2-amine
CID 64645795

Frequently Asked Questions

What is the IUPAC name of 2-(disulfanylsulfonyl)thiophene?
The IUPAC name of 2-(disulfanylsulfonyl)thiophene (CID 147186470) is 2-(disulfanylsulfonyl)thiophene.
What is the SMILES notation for 2-(disulfanylsulfonyl)thiophene?
The canonical SMILES for 2-(disulfanylsulfonyl)thiophene is O=S(=O)(SS)c1cccs1.
What is the InChIKey of 2-(disulfanylsulfonyl)thiophene?
The InChIKey is CAOWRJMCOMHQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2S4/c5-10(6,9-7)4-2-1-3-8-4/h1-3,7H.
What are the key properties of 2-(disulfanylsulfonyl)thiophene?
2-(disulfanylsulfonyl)thiophene has a molecular weight of 212.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(disulfanylsulfonyl)thiophene is sourced from PubChem (CID 147186470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).