Back to Search
Molecule
Solvent Orange 63
CAS: 16294-75-0 · C23H12OS
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16294-75-0
- Molecular Formula
- C23H12OS
- Molecular Mass
- 336.42 g/mol
Identifiers
CAS Registry Number
16294-75-0
SMILES
O=c1c2ccccc2c2ccc3sc4ccccc4c4ccc1c2c34
InChI Key
NVNWZZLOQBHTCW-UHFFFAOYSA-N
InChI
InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H
Names and Synonyms
- Solvent Orange 63 Synonym
- 14H-Anthra[2,1,9-mna]thioxanthen-14-one Synonym
- Fluorescent Red GG Synonym
- C.I. Solvent Orange 63 Synonym
- Hostasol Red GG Synonym
- Day-Glo Ozark Orange Synonym
- Solvent Orange 63 Synonym
- C.I. 68550 Synonym
- D 063 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.42 g/mol | CAS Common Chemistry |
| 336.41500000000013 g/mol | RDKit | |
| 336.415 g/mol | RDKit | |
| 337.293 g/mol | chempirical lib | |
| Canonical SMILES | O=C1C=2C=CC=CC2C3=CC=C4SC=5C=CC=CC5C=6C=CC1=C3C46 | CAS Common Chemistry |
| InChI | InChI=1S/C23H12OS/c24-23-17-7-2-1-5-13(17)15-11-12-20-22-16(9-10-18(23)21(15)22)14-6-3-4-8-19(14)25-20/h1-12H | CAS Common Chemistry |
| InChI Key | InChIKey=NVNWZZLOQBHTCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Solvent Orange 63 | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 6.312100000000003 | RDKit |
| 6.3121 | RDKit | |
| Molar Refractivity | 109.30500000000004 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 336.060886004 g/mol | RDKit |
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
Convert
Quick conversion
MW = 336.42 g/mol. Edit any field — others recompute live.
