Thioindigo Black
TL;DR: Thioindigo Black (CAS 3687-67-0) is a chemical compound with molecular formula C20H9BrClNO2S and molecular weight 440.92258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-(9-chloro-3-hydroxybenzo[g][1]benzothiol-2-yl)indol-3-one
Also Known As: Thioindigo Black, Vat Black 1, Helanthrene Black BL, Tina Grey BL, Solanthrene Grey BL
Technical Specifications
| Molecular Formula | C20H9BrClNO2S |
| Molecular Weight | 440.92258 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.92258 Da |
| Heavy Atoms | 26 |
| Complexity | 631.0 |
| SMILES | C1=CC2=C(C(=C1)Cl)C3=C(C=C2)C(=C(S3)C4=NC5=C(C4=O)C=C(C=C5)Br)O |
| InChIKey | WRSWXNQFTKCPHT-UHFFFAOYSA-N |
Product Description
Applications: Thioindigo Black is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Thioindigo Black (CAS 3687-67-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Thioindigo Black is a fine chemical identified by CAS number 3687-67-0 and the molecular formula C20H9BrClNO2S and a molecular weight of 440.92 g/mol. It is also known as Thioindigo Black and Vat Black 1.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Thioindigo Black
Property Insights of Thioindigo Black
The XLogP value of 6.2 indicates that Thioindigo Black is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Thioindigo Black. Following Lipinski's Rule of Five, Thioindigo Black has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Thioindigo Black?
The CAS number of Thioindigo Black is 3687-67-0.
What is the molecular formula of Thioindigo Black?
The molecular formula of Thioindigo Black is C20H9BrClNO2S.
What is the molecular weight of Thioindigo Black?
The molecular weight of Thioindigo Black is 440.92258 g/mol.
What are the applications of Thioindigo Black?
Thioindigo Black is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Thioindigo Black (CAS 3687-67-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and...
Where can I buy Thioindigo Black?
You can request a quote for Thioindigo Black directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thioindigo Black?
Yes, CoreyChem provides custom synthesis services for Thioindigo Black and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.