1-Benzothiopyrylium, 2-phenyl-, perchlorate
Basic information
- CAS
22956-28-1- Standard SMILES
[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2ccc3ccccc3[s+]2)cc1- InChIKey
HQFFYEIYLBCARH-UHFFFAOYSA-M- Molecular formula
- C15H11ClO4S
- Average molar mass
- 322.8 g/mol
- Monoisotopic mass
- 322.0066577
Names & identifiers
- Preferred name
- 1-Benzothiopyrylium, 2-phenyl-, perchlorate
- IUPAC
- 2-phenylthiochromenylium perchlorate
Names & synonyms
2-Phenyl-1-benzothiopyrylium perchlorate1-Benzothiopyrylium, 2-phenyl-, perchlorate22956-28-1DTXSID80177502NSC 208860RefChem:227824DTXCID5099993SCHEMBL9677398NSC208860NSC-2088602-Phenyl-1-benzothiopyran-1-ium perchlorate
Database identifiers
- CAS
22956-28-1- PubChem CID
- 211384
- DTXSID
DTXSID80177502
Properties
Computed structural properties
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…