![Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- structure](/static/products/1577/157768-92-8.webp)
Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-
TL;DR: Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- (CAS 157768-92-8) is a chemical compound with molecular formula C14H10N2O2S2 and molecular weight 302.01837 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 2-(3-Nitrobenzylthio)benzothiazole, Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-, 3-Nitrobenzyl 2-benzothiazolyl sulfide, 2-[(3-nitrophenyl)methylsulfanyl]-1,3-benzothiazole, 2-[(3-nitrophenyl)methylthio]benzothiazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H10N2O2S2 |
| Molecular Weight | 302.01837 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.01837 Da |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | RUKMOTVBCYHOCZ-UHFFFAOYSA-N |
Chemical Property Profile of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-
Property Insights of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-
The XLogP value of 4.4 indicates that Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-. Following Lipinski's Rule of Five, Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- has 0 hydrogen bond donor(s) and 5 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-[[(3-nitrophenyl)methyl]thio]-?
The CAS number of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- is 157768-92-8.
What is the molecular formula of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-?
The molecular formula of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- is C14H10N2O2S2.
What is the molecular weight of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-?
The molecular weight of Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- is 302.01837 g/mol.
Where can I buy Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-?
You can request a quote for Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]-?
Yes, CoreyChem provides custom synthesis services for Benzothiazole, 2-[[(3-nitrophenyl)methyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.