Pyreno(2,1-b)thiophene
Basic information
- CAS
189-81-1- Standard SMILES
c1cc2ccc3cc4sccc4c4ccc(c1)c2c34- InChIKey
KBGGQFXYUZPGSX-UHFFFAOYSA-N- Molecular formula
- C18H10S
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.05032149
Names & identifiers
- Preferred name
- Pyreno(2,1-b)thiophene
- IUPAC
- 5-thiapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),3,7,9,11(19),12,14,16-nonaene
Names & synonyms
Pyreno(2,1-b)thiophenePyreno[2,1-b]thiophene189-81-1DTXSID90172280RefChem:177495DTXCID1094771KBGGQFXYUZPGSX-UHFFFAOYSA-NpyrenothiopheneSCHEMBL106955715-thiapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),3,7,9,11(19),12,14,16-nonaene
Database identifiers
- CAS
189-81-1- PubChem CID
- 164552
- DTXSID
DTXSID90172280- Nikkaji
- J1.075.621I
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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