Basic information
- CAS
21786-08-3- Standard SMILES
ClCCN1c2ccccc2Sc2ccccc21- InChIKey
QAILPAXNHSERDB-UHFFFAOYSA-N- Molecular formula
- C14H12ClNS
- Average molar mass
- 261.8 g/mol
- Monoisotopic mass
- 261.0378983
Names & identifiers
- Preferred name
- 10-(2-Chloroethyl)-10h-phenothiazine
- IUPAC
- 10-(2-chloroethyl)phenothiazine
- English name
- NSC52516
- Molecular formula
- C14H12ClNS
- Molecular weight
- 261.77
Names & synonyms
10-(2-chloroethyl)-10h-phenothiazine21786-08-3NSC5251610H-Phenothiazine,10-(2-chloroethyl)-SCHEMBL627548CHEMBL1651448SCHEMBL30349822DTXSID50287783NSC-52516H5220710H-Phenothiazine, 10-(2-chloroethyl)-
Database identifiers
- CAS
21786-08-3- PubChem CID
- 243186
- DTXSID
DTXSID50287783- ChEMBL
CHEMBL1651448
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 95 · 95-96 °C(Solv: ethanol (64-17-5))
- Boiling point
- 396.8 · 396.8±31.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- pka
- -0.1 · -0.10±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海睿升化工科技有限公司15026594951 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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