2,5-Bis(tert-butylsulfonyl)thiophene
Basic information
- CAS
3751-64-2- Standard SMILES
CC(C)(C)S(=O)(=O)c1ccc(S(=O)(=O)C(C)(C)C)s1- InChIKey
ZBTFDTXUZXPFKC-UHFFFAOYSA-N- Molecular formula
- C12H20O4S3
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.05237264
Names & identifiers
- Preferred name
- 2,5-Bis(tert-butylsulfonyl)thiophene
- IUPAC
- 2,5-bis(tert-butylsulfonyl)thiophene
Names & synonyms
2,5-bis(tert-butylsulfonyl)thiophene3751-64-2DTXSID30352428RefChem:247146DTXCID10303493Thiophene, 2,5-bis[(1,1-dimethylethyl)sulfonyl]-2,5-bis[(tert-butyl)sulfonyl]thiophene2,5-Bis-(2-methyl-propane-2-sulfonyl)-thiopheneCambridge id 5103903TimTec1_002423Oprea1_450688Oprea1_491639
Show more names
CBDivE_010199MLS000527389CHEMBL14656062,5-bis(t-butylsulfonyl)thiopheneHMS1540O03STK832554AKOS000663779SMR000117863
Database identifiers
- CAS
3751-64-2- PubChem CID
- 726435
- DTXSID
DTXSID30352428- ChEMBL
CHEMBL1465606
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 471
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Related reactions
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Compound notes
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