Basic information
- CAS
226-06-2- Standard SMILES
c1ccc2c(c1)Nc1ccc3ccccc3c1S2- InChIKey
WUTNPRKQMZJXTR-UHFFFAOYSA-N- Molecular formula
- C16H11NS
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.06122053
Names & identifiers
- Preferred name
- 7H-Benzo(c)phenothiazine
- IUPAC
- 7H-benzo[c]phenothiazine
- English name
- 7H-benzo[c]phenothiazine
- Molecular formula
- C16H11NS
- Molecular weight
- 249.33
Names & synonyms
7H-Benzo[c]phenothiazine226-06-27H-Benzo(c)phenothiazineDTXSID40277370RefChem:311370DTXCID80228528WUTNPRKQMZJXTR-UHFFFAOYSA-NNSC1980benzo[c]phenothiazineOprea1_135042SCHEMBL1393346SCHEMBL30704751
Show more names
7H-12-Thia-7-azabenz[a]anthracene
NSC-1980AKOS000282458DS-005991EU-0009394AG-690/36279027SR-01000474740SR-01000474740-1
Database identifiers
- CAS
226-06-2- PubChem CID
- 219986
- DTXSID
DTXSID40277370- Nikkaji
- J39.641I
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
- 178 °C · 178 °C
- Boiling point
- 235 · 235-240 °C(Press: 0.1 Torr)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- -0.11 · -0.11±0.20(Predicted)
Chemistry & industry
Suppliers3 total
郑州阿尔法化工有限公司13333829863 13333829863 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…