Basic information
- CAS
22511-31-5- Standard SMILES
Sc1ccc(S)s1- InChIKey
BNLZBNHLPPSPQN-UHFFFAOYSA-N- Molecular formula
- C4H4S3
- Average molar mass
- 148.3 g/mol
- Monoisotopic mass
- 147.94751365
Names & identifiers
- Preferred name
- Thiophene-2,5-dithiol
- IUPAC
- thiophene-2,5-dithiol
Names & synonyms
Thiophene-2,5-dithiol22511-31-5DTXSID70597932RefChem:385290DTXCID205486912,5-ThiophenedithiolSCHEMBL2540878
Database identifiers
- CAS
22511-31-5- PubChem CID
- 19087042
- DTXSID
DTXSID70597932- Nikkaji
- J1.043.848I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 56
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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