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Japan Red 226
CAS: 2379-74-0 | C18H10Cl2O2S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2379-74-0
Molecular Formula:
C18H10Cl2O2S2
Molecular Weight:
393.31600000000014 g/mol
Names and Synonyms:
Japan Red 226
Cosmetic Pink RC 01
Lavanya Roseum
Red 30
Pigment Red 181
D&C Red 30
Vat Pink R
Oracet Pink RF
Japan Red 226
Helindon Pink CN
C.I. Pigment Red 181
Thioindigo Brilliant Pink Zh
Pink FFT
Indanthrene Pink R
Solanthrene Brilliant Pink F-R
Red No. 226
Vat Red 1
Indanthren Brilliant Rose R
6,6′-Dichloro-4,4′-dimethylthioindigo
D and C Red No. 30
C.I. Vat Red 1
Vat Printing Pink FF
Vat Pink FF
Tyrian Brilliant Pink I-R
Tina Brilliant Pink R
Sulfanthrene Pink FFD
Solanthrene Brilliant Pink RF
Solanthrene Brilliant Pink R
Sanyo Threne Brillant Pink IR
Sandothrene Brilliant Pink R
Romantrene Brilliant Pink FR
D&C Red No. 30
Permanent Pink
Paradone Brilliant Pink R
Palanthrene Brilliant Pink R
Oralith Brilliant Pink R
Nyanthrene Brilliant Pink R
Nihonthrene Brilliant Pink R
Mikethrene Brilliant Pink R
Lithosol Fast Pink SVP
Indanthrene Brilliant Pink R
Indanthren Brilliant Pink RS
Indanthren Brilliant Pink RP
Indanthren Brilliant Pink RB
Indanthren Brilliant Pink R
Hostavat Brilliant Pink R
Helindon Pink R
Helindone Pink CN
Helanthrene Pink R
Helanthrene Brilliant Pink R
Fenidon Pink R
Fenanthren Pink R Spura
Fenanthren Brilliant Pink R
Fast Pink Y
Durindone Printing Pink FF
Durindone Pink FF-FA
Durindone Pink FF
5,5′-Dichloro-3,3′-dimethyl-thioindigo
Daltolite Pink FF
Ciba Pink FF
Ciba Brilliant Pink FR
Ciba Brilliant Pink R
Chemithrene Brilliant Pink R
Calophyl Pink ZFF
Calcophyl Red FF
Calcoloid Printing Pink FFE
Calcoloid Pink FFRP
Calcoloid Pink FFD
Calcoloid Pink FFC
Amanthrene Pink FFWP
Amanthrene Pink FFD
Amanthrene Pink FF
Ahcovat Printing Pink FF
Ahcovat Pink FFD
C.I. 73360
11484 Red
6-Chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophen-3(2H)-one
Thioindigo, 6,6′-dichloro-4,4′-dimethyl-
[Δ2,2′(3H,3′H)-Bibenzo[b]thiophene]-3,3′-dione, 6,6′-dichloro-4,4′-dimethyl-
Benzo[b]thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methyl-
Thioindigo Brilliant Pink ZhP
Identifiers:
SMILES:
Cc1cc(Cl)cc2c1C(=O)C(=C1Sc3cc(Cl)cc(C)c3C1=O)S2
InChI:
InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3
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 | 393.31600000000014 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 391.94992692 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 24 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 34.14 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 6.098840000000004 | RDKit |
| molecular_mass | 393.32 g/mol | Legacy Database |
| cas-canonical-smile | O=C1C(SC2=CC(Cl)=CC(=C12)C)=C3SC4=CC(Cl)=CC(=C4C3=O)C None | Legacy Database |
| cas-inchi | InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NDDLLTAIKYHPOD-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Japan Red 226 None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 99.77900000000002 | RDKit |
