Basic information
- CAS
1457-32-5- Standard SMILES
ClCCN1c2ccc3ccccc3c2Sc2c1ccc1ccccc21- InChIKey
LGSUQZALUDMXLK-UHFFFAOYSA-N- Molecular formula
- C22H16ClNS
- Average molar mass
- 361.9 g/mol
- Monoisotopic mass
- 361.0691984
Names & identifiers
- Preferred name
- 7-(2-Chloroethyl)-7h-dibenzo[c,h]phenothiazine
- IUPAC
- 13-(2-chloroethyl)-2-thia-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
Names & synonyms
1457-32-57-(2-chloroethyl)-7h-dibenzo[c,h]phenothiazineNSC52521DTXSID50287788NSC-52521
Database identifiers
- CAS
1457-32-5- PubChem CID
- 243191
- DTXSID
DTXSID50287788
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 433
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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