2-Cyanophenothiazine - CAS 38642-74-9
Catalog: |
BB023720 |
Product Name: |
2-Cyanophenothiazine |
CAS: |
38642-74-9 |
Synonyms: |
10H-phenothiazine-2-carbonitrile; 10H-phenothiazine-2-carbonitrile |
IUPAC Name: | 10H-phenothiazine-2-carbonitrile |
Description: | Intermediate in the preparation of Cyamemazine, an antipsychotic agent. |
Molecular Weight: | 224.28 |
Molecular Formula: | C13H8N2S |
Canonical SMILES: | C1=CC=C2C(=C1)NC3=C(S2)C=CC(=C3)C#N |
InChI: | InChI=1S/C13H8N2S/c14-8-9-5-6-13-11(7-9)15-10-3-1-2-4-12(10)16-13/h1-7,15H |
InChI Key: | XZSIGWOVDPSPMG-UHFFFAOYSA-N |
Boiling Point: | 427.6 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
MDL: | MFCD00129784 |
LogP: | 3.90448 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112266365-A | Method for introducing phenoxazine/phenothiazine functional group to para position of aniline derivative | 20201117 |
JP-2021123631-A | Active energy ray-curable composition | 20200204 |
CN-208711699-U | A kind of reaction unit being used to prepare 2- cyano-phenothiazine | 20180704 |
JP-2019203970-A | Liquid crystal display element, method for producing liquid crystal display element, and polymerizable liquid crystal composition | 20180522 |
JP-2019053389-A | Transparent conductor and touch panel sensor | 20170913 |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.04081944 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 61.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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