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Molecule
Phenothiazine
CAS: 92-84-2 · C12H9NS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 92-84-2
- Molecular Formula
- C12H9NS
- Molecular Mass
- 199.28 g/mol
Identifiers
CAS Registry Number
92-84-2
SMILES
c1ccc2c(c1)Nc1ccccc1S2
InChI Key
WJFKNYWRSNBZNX-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H
Names and Synonyms
- Phenothiazine Synonym
- 10H-Phenothiazine Synonym
- Phenothiazine Synonym
- ENT 38 Synonym
- Contaverm Synonym
- Dibenzothiazine Synonym
- Feeno Synonym
- Fenoverm Synonym
- Padophene Synonym
- Penthazine Synonym
- Phenegic Synonym
- Phenovis Synonym
- Phenoxur Synonym
- Phenthiazine Synonym
- Thiodiphenylamine Synonym
- Dibenzo-1,4-thiazine Synonym
- Early bird wormer Synonym
- Nemazene Synonym
- Reconox Synonym
- Nexarbol Synonym
- Orimon Synonym
- Phenoverm Synonym
- Phenzeen Synonym
- Danikoropa Synonym
- Antage TDP Synonym
- NSC 2037 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.28 g/mol | CAS Common Chemistry |
| 199.278 g/mol | RDKit | |
| 199.271 g/mol | chempirical lib | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.34 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenothiazine | CAS Common Chemistry |
| Canonical SMILES | S1C=2C=CC=CC2NC=3C=CC=CC13 | CAS Common Chemistry |
| InChI | InChI=1S/C12H9NS/c1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-8,13H | CAS Common Chemistry |
| InChI Key | InChIKey=WJFKNYWRSNBZNX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 185.1 °C | CAS Common Chemistry |
| Name | Phenothiazine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 12.03 Ų | RDKit |
| LogP | 3.894800000000001 | RDKit |
| 3.8948 | RDKit | |
| Molar Refractivity | 60.289700000000025 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 199.045570288 g/mol | RDKit |
| Boiling Point | 371 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 199.28 g/mol; density = 1.340 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H9NS.
