![Benzothiazole, 2-[(tribromomethyl)sulfonyl]- structure](/static/products/3127/31274-42-7.webp)
Benzothiazole, 2-[(tribromomethyl)sulfonyl]-
TL;DR: Benzothiazole, 2-[(tribromomethyl)sulfonyl]- (CAS 31274-42-7) is a chemical compound with molecular formula C8H4Br3NO2S2 and molecular weight 446.72336 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(tribromomethylsulfonyl)-1,3-benzothiazole
Also Known As: 2-(Tribromomesyl)benzothiazole, Benzothiazole, 2-[(tribromomethyl)sulfonyl]-, Benzothiazole, 2-((tribromomethyl)sulfonyl)-, 2-(tribromomethylsulfonyl)-1,3-benzothiazole, 2-[(Tribromomethyl)sulfonyl]benzothiazole
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H4Br3NO2S2 |
| Molecular Weight | 446.72336 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 448.7213 Da |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)C(Br)(Br)Br |
| InChIKey | NREKJIIPVVKRNO-UHFFFAOYSA-N |
Chemical Property Profile of Benzothiazole, 2-[(tribromomethyl)sulfonyl]-
Property Insights of Benzothiazole, 2-[(tribromomethyl)sulfonyl]-
The XLogP value of 4.5 indicates that Benzothiazole, 2-[(tribromomethyl)sulfonyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-[(tribromomethyl)sulfonyl]-. Following Lipinski's Rule of Five, Benzothiazole, 2-[(tribromomethyl)sulfonyl]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-[(tribromomethyl)sulfonyl]-?
The CAS number of Benzothiazole, 2-[(tribromomethyl)sulfonyl]- is 31274-42-7.
What is the molecular formula of Benzothiazole, 2-[(tribromomethyl)sulfonyl]-?
The molecular formula of Benzothiazole, 2-[(tribromomethyl)sulfonyl]- is C8H4Br3NO2S2.
What is the molecular weight of Benzothiazole, 2-[(tribromomethyl)sulfonyl]-?
The molecular weight of Benzothiazole, 2-[(tribromomethyl)sulfonyl]- is 446.72336 g/mol.
Where can I buy Benzothiazole, 2-[(tribromomethyl)sulfonyl]-?
You can request a quote for Benzothiazole, 2-[(tribromomethyl)sulfonyl]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole, 2-[(tribromomethyl)sulfonyl]-?
Yes, CoreyChem provides custom synthesis services for Benzothiazole, 2-[(tribromomethyl)sulfonyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.