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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 Mass:
393.32 g/mol
Names and Synonyms:
Japan Red 226
Thioindigo Brilliant Pink ZhP
Benzo[b]thiophen-3(2H)-one, 6-chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methyl-
[Δ2,2′(3H,3′H)-Bibenzo[b]thiophene]-3,3′-dione, 6,6′-dichloro-4,4′-dimethyl-
Thioindigo, 6,6′-dichloro-4,4′-dimethyl-
6-Chloro-2-(6-chloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4-methylbenzo[b]thiophen-3(2H)-one
11484 Red
C.I. 73360
Ahcovat Pink FFD
Ahcovat Printing Pink FF
Amanthrene Pink FF
Amanthrene Pink FFD
Amanthrene Pink FFWP
Calcoloid Pink FFC
Calcoloid Pink FFD
Calcoloid Pink FFRP
Calcoloid Printing Pink FFE
Calcophyl Red FF
Calophyl Pink ZFF
Chemithrene Brilliant Pink R
Ciba Brilliant Pink R
Ciba Brilliant Pink FR
Ciba Pink FF
Daltolite Pink FF
5,5′-Dichloro-3,3′-dimethyl-thioindigo
Durindone Pink FF
Durindone Pink FF-FA
Durindone Printing Pink FF
Fast Pink Y
Fenanthren Brilliant Pink R
Fenanthren Pink R Spura
Fenidon Pink R
Helanthrene Brilliant Pink R
Helanthrene Pink R
Helindone Pink CN
Helindon Pink R
Hostavat Brilliant Pink R
Indanthren Brilliant Pink R
Indanthren Brilliant Pink RB
Indanthren Brilliant Pink RP
Indanthren Brilliant Pink RS
Indanthrene Brilliant Pink R
Lithosol Fast Pink SVP
Mikethrene Brilliant Pink R
Nihonthrene Brilliant Pink R
Nyanthrene Brilliant Pink R
Oralith Brilliant Pink R
Palanthrene Brilliant Pink R
Paradone Brilliant Pink R
Permanent Pink
D&C Red No. 30
Romantrene Brilliant Pink FR
Sandothrene Brilliant Pink R
Sanyo Threne Brillant Pink IR
Solanthrene Brilliant Pink R
Solanthrene Brilliant Pink RF
Sulfanthrene Pink FFD
Tina Brilliant Pink R
Tyrian Brilliant Pink I-R
Vat Pink FF
Vat Printing Pink FF
C.I. Vat Red 1
D and C Red No. 30
6,6′-Dichloro-4,4′-dimethylthioindigo
Indanthren Brilliant Rose R
Vat Red 1
Red No. 226
Solanthrene Brilliant Pink F-R
Indanthrene Pink R
Pink FFT
Thioindigo Brilliant Pink Zh
C.I. Pigment Red 181
Helindon Pink CN
Japan Red 226
Oracet Pink RF
Vat Pink R
D&C Red 30
Pigment Red 181
Red 30
Lavanya Roseum
Cosmetic Pink RC 01
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 393.32 g/mol | CAS Common Chemistry |
| 393.31600000000014 g/mol | RDKit | |
| 391.94992692 g/mol | RDKit | |
| Canonical SMILES | O=C1C(SC2=CC(Cl)=CC(=C12)C)=C3SC4=CC(Cl)=CC(=C4C3=O)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=NDDLLTAIKYHPOD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Japan Red 226 | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 34.14 Ų | RDKit |
| LogP | 6.098840000000004 | RDKit |
| Molar Refractivity | 99.77900000000002 | RDKit |
