Basic information
- CAS
95756-28-8- Standard SMILES
S=C(NCCCN1c2ccccc2Sc2ccccc21)Nc1ccccc1- InChIKey
WWNWCKGBYAXFOQ-UHFFFAOYSA-N- Molecular formula
- C22H21N3S2
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.11769003
Names & identifiers
- Preferred name
- Thiourea, N-[3-(10H-phenothiazin-10-yl)propyl]-N'-phenyl-
- IUPAC
- 1-(3-phenothiazin-10-ylpropyl)-3-phenylthiourea
Names & synonyms
Thiourea, N-[3-(10H-phenothiazin-10-yl)propyl]-N'-phenyl-95756-28-8SCHEMBL10655662DTXSID50440199N-[3-(10H-Phenothiazin-10-yl)propyl]-N'-phenylthiourea
Database identifiers
- CAS
95756-28-8- PubChem CID
- 10453079
- DTXSID
DTXSID50440199
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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