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2,8-Diphenylanthra[2,1-D:6,5-D′]Bisthiazole-6,12-Dione
CAS: 129-09-9 | C28H14N2O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
129-09-9
Molecular Formula:
C28H14N2O2S2
Molecular Weight:
474.5660000000002 g/mol
Names and Synonyms:
2,8-Diphenylanthra[2,1-D:6,5-D′]Bisthiazole-6,12-Dione
Common Name
C.I. Vat Yellow 2
Synonym
Anthra Yellow
Synonym
Algol Yellow GC
Synonym
Tyrian Yellow A-GC
Synonym
Threne Yellow GCN
Synonym
Vat Flavone GCN
Synonym
Indanthrene Yellow GCN
Synonym
Flavone GC base
Synonym
Algol Yellow 2BLT
Synonym
Tinon Yellow GCP
Synonym
Tinon Yellow GC
Synonym
Sandothrene Yellow NGC
Synonym
Romantrene Yellow GCN
Synonym
Ponsol Flavone GCND
Synonym
Ponsol Flavone GCN
Synonym
Ponsol Flavone GCD
Synonym
Ponsol Flavone GC
Synonym
Pharmanthrene Yellow GCD
Synonym
Pharmanthrene Yellow GC
Synonym
Paradone Yellow GCX
Synonym
Paradone Yellow GC
Synonym
Palanthrene Yellow GC
Synonym
Ostanthren Yellow GC
Synonym
Nyanthrene Yellow GCA
Synonym
Nihonthrene Yellow GCN
Synonym
Mikethrene Yellow GCN
Synonym
Leucosol Yellow GC
Synonym
Hostavat Yellow GC
Synonym
Heliane Yellow J
Synonym
Flavon GC
Synonym
Fenanthren Yellow GC
Synonym
2,8-Diphenylanthraquinone-1′(S)-2′,5′(S)-6′-dithiazole
Synonym
Cibanone Yellow GC
Synonym
Chemithrene Yellow GC
Synonym
Carbanthrene Printing Flavine GCL
Synonym
Carbanthrene Printing Flavine GC
Synonym
Carbanthrene Flavine GC
Synonym
Caledon Yellow 5G
Synonym
Caledon Printing Yellow 5G
Synonym
Calcoloid Yellow GCD
Synonym
Calcoloid Printing Yellow GC
Synonym
Anthra Yellow GCN
Synonym
Anthra Yellow GC
Synonym
Anthravat Flavone GC
Synonym
Amanthrene Supra Flavone GCP
Synonym
Amanthrene Supra Flavone GCN
Synonym
Amanthrene Flavone GC
Synonym
Ahcovat Printing Flavone GC
Synonym
Ahcovat Flavone GCN
Synonym
Ahcovat Flavone GC
Synonym
C.I. 67300
Synonym
2,8-Diphenylanthra[2,1-d:6,5-d′]bisthiazole-6,12-dione
Synonym
Anthra[2,1-d:6,5-d′]bisthiazole-6,12-dione, 2,8-diphenyl-
Synonym
Novatic Yellow RT
Synonym
Navinon Golden Yellow VH
Synonym
Vat Yellow GCN
Synonym
Reduced Yellow GCN
Synonym
Novatic Yellow 5G
Synonym
Identifiers:
SMILES:
O=C1c2ccc3nc(-c4ccccc4)sc3c2C(=O)c2ccc3nc(-c4ccccc4)sc3c21
InChI:
InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 474.5660000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 474.04966968800005 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 34 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 6 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 59.92 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 7.015400000000004 | RDKit |
| molecular_mass | 474.57 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C2=CC=C3N=C(SC3=C2C(=O)C4=CC=C5N=C(SC5=C14)C=6C=CC=CC6)C=7C=CC=CC7 None | Legacy Database |
| cas-inchi | InChI=1S/C28H14N2O2S2/c31-23-18-12-14-20-26(34-28(30-20)16-9-5-2-6-10-16)22(18)24(32)17-11-13-19-25(21(17)23)33-27(29-19)15-7-3-1-4-8-15/h1-14H None | Legacy Database |
| cas-inchi-key | InChIKey=GFFQNEGBFFGLQG-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2,8-Diphenylanthra[2,1-d:6,5-d′]bisthiazole-6,12-dione None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 136.9769999999999 | RDKit |