Thioindigo
Also known as Antinolo Red B, C.I. Vat Red 41, 4,4'-Diisothioindigo
Key facts
What buyers check first
- CAS number
- 522-75-8
- Formula
- C16H8O2S2
- Molar mass
- 296.37 g/mol
- EC number
- 208-336-1
- HS code
- 320415
- Category
- Disperse dyes
What is Thioindigo?
Plain description, key identifiers and synonyms
Thioindigo is a chemical substance with the molecular formula C16H8O2S2 and a molar mass of 296.37 g/mol. Its CAS registry number is 522-75-8. The IUPAC name is (2Z)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2Z)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
- CAS number
- 522-75-8
- EC number
- 208-336-1
- Molecular formula
- C16H8O2S2
- UNII
- V993X7635Y
- InChIKey
- JOUDBUYBGJYFFP-NXVVXOECSA-N
- InChI
- InChI=1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-
- Canonical SMILES
- O=C1C(=C2Sc3ccccc3C2=O)Sc2ccccc21
- Isomeric SMILES
- C1=CC=C2C(=C1)C(=O)/C(=C/3\C(=O)C4=CC=CC=C4S3)/S2
Synonyms
- Antinolo Red B
- C.I. Vat Red 41
- 4,4'-Diisothioindigo
- Benzo(b)thiophen-3(2H)-one, 2-(3-oxobenzo(b)thien-2(3H)-ylidene)-
- (delta(sup 2,2'(3H,3'H))-Bibenzo(b)thiophene)-3,3'-dione
- (delta-2,2'(3H,3'H)-bibenzo(b)thiophene)-3,3'-dione
- Benzo[b]thiophen-3(2H)-one, 2-(3-oxobenzo[b]thien-2(3H)-ylidene)-
- Durindone Red BP
- Isothioindigo
- Durindone Red B
- Helindon Red BB
- Thioindigo Red B
- Thioindigo Red S
- Tetra Pink B
- Ciba Pink B
- Tina Pink B
- Heliane Red 5B
- Tyrian Red A-5B
- Vat Red 5B
- (2Z)-2-(3-oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one
- Vat Red 41
- Durindone Printing Red B
- 2-(3-Oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophen-3(2H)-one
- C.I. 73300
- cis-thioindigo
Show all 34 synonymsShow fewer synonyms
- Solvent Red 242
- Disperse Red 364
- CI VAT RED 41
- 5-19-05-00281 (Beilstein Handbook Reference)
- Ci solvent red 242
- Ci disperse red 364
- 2-(3-Oxobenzo(b)thien-2(3H)-ylidene)benzo(b)thiophene-3(2H)-one
- CI 73300
- [delta2,2'(3H,3'H)-Bibenzo[b]thiophene]-3,3'-dione
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 296.37 g/molcalc.Computed value |
|---|---|
| Exact mass | 295.9966 Dacalc.Computed value |
| LogP (octanol/water) | 4.18calc.Computed value |
| Topological polar surface area | 34.14 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 0calc.Computed value |
| Heavy atoms | 20calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1C(=C2Sc3ccccc3C2=O)Sc2ccccc21
4 rings, 20 atoms, the 2-(3-Oxo-1-benzothiophen-2-ylidene)-1-benzothiophen-3-one ring system.
27 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Thioindigo suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- India, Mumbai ManufacturerUnclaimed profileThioindigoGrade, purity and minimum order on requestPrice on request
- China, Ningbo ManufacturerUnclaimed profileThioindigoGrade, purity and minimum order on requestPrice on request
- China ManufacturerUnclaimed profileThioindigoGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileThioindigoGrade, purity and minimum order on requestPrice on request
- India, Mumbai ManufacturerUnclaimed profileThioindigoGrade, purity and minimum order on requestPrice on request
- Price on request
- India ManufacturerUnclaimed profileThioindigoGrade, purity and minimum order on requestPrice on request
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Thioindigo price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Thioindigo is traded under.
Vat dyes (including those usable in that state as pigments) and preparations based thereon
* Partner reported figures, a lower bound.
The HS code shown for Thioindigo is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Thioindigo, based on the data on this page
What is Thioindigo?
What is the CAS number of Thioindigo?
What is the molecular formula and weight of Thioindigo?
What is Thioindigo used for?
Is Thioindigo hazardous?
What is the HS code of Thioindigo?
Where can I buy Thioindigo?
Where can I buy Thioindigo in India?
What is the price of Thioindigo?
Guides for buyers
Practical guides that help when you source, ship or handle Thioindigo
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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