Basic information
- CAS
51452-22-3- Standard SMILES
CC(C)(C)Sc1cc(C(=O)O)sc1C(=O)O- InChIKey
AIDPCPCBSDXZQQ-UHFFFAOYSA-N- Molecular formula
- C10H12O4S2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.01770121
Names & identifiers
- Preferred name
- ST026239
- IUPAC
- 3-tert-butylsulfanylthiophene-2,5-dicarboxylic acid
Names & synonyms
51452-22-3ST026239DTXSID40352050RefChem:381320DTXCID703031163-(tert-butylthio)thiophene-2,5-dicarboxylic acid3-(tert-Butylthio)-2,5-thiophenedicarboxylic acidHMS1671F20Cambridge id 5119040CBDivE_0025052,5-Thiophenedicarboxylic acid, 3-[(1,1-dimethylethyl)thio]-AKOS000664217
Show more names
3-(TERT-BUTYLSULFANYL)THIOPHENE-2,5-DICARBOXYLIC ACID
Database identifiers
- CAS
51452-22-3- PubChem CID
- 717366
- DTXSID
DTXSID40352050
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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