(12H)-benzo(a)phenothiazine
Basic information
- CAS
225-83-2- Standard SMILES
c1ccc2c(c1)Nc1c(ccc3ccccc13)S2- InChIKey
PGIGZWJIJSINOD-UHFFFAOYSA-N- Molecular formula
- C16H11NS
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.06122053
Names & identifiers
- Preferred name
- (12H)-benzo(a)phenothiazine
- IUPAC
- 12H-benzo[a]phenothiazine
- English name
- 12H-benzo[a]phenothiazine
- Molecular formula
- C16H11NS
- Molecular weight
- 249.33
Names & synonyms
(12H)-Benzo(a)phenothiazineRefChem:56514612H-Benzo[a]phenothiazine225-83-2BenzophenothiazineBenzo(a)phenothiazineBenzo[a]phenothiazine12H-Benzo(a)phenothiazine12H-7-Thia-12-azabenz(a)anthraceneKCP1A0JVZ9NSC-8819528453-74-9
Show more names
12H-7-Thia-12-azabenz[a]anthraceneEINECS 205-931-8NSC 881956,7-BenzophenothiazineUNII-KCP1A0JVZ9NCIOpen2_00523512H-Benzo-[a]phenothiazine7H-Benzo[c]phenothiazine #
Database identifiers
- CAS
225-83-2、28453-74-9- PubChem CID
- 67469
- DTXSID
DTXSID8059760- ChEMBL
CHEMBL390824- UNII
- KCP1A0JVZ9
- EC Number
- 205-931-8
- Nikkaji
- J193.682D
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 305
Physicochemical properties
- Melting point
- 136 · 136-137 °C
- Boiling point
- 467.7 · 467.7±15.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- -0.11 · -0.11±0.20(Predicted)
- FDA UNII
- 1 A0JVZ9 · KCP1A0JVZ9
- EPA Substance Registry System
- 12 H-Benzo[a]phenothiazine · 12H-Benzo[a]phenothiazine (225-83-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information12H-Benzo[a]phenothiazine: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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