![Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- structure](/static/products/4979/49790-72-9.webp)
Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-
TL;DR: Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- (CAS 49790-72-9) is a chemical compound with molecular formula C12H8N2O3S2 and molecular weight 292.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-nitrofuran-2-yl)methylsulfanyl]-1,3-benzothiazole
Also Known As: 5-Nitrofurfuryl-2-benzothiazolyl-sulfid, Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-, 2-[(5-nitrofuran-2-yl)methylsulfanyl]-1,3-benzothiazole, 2-{[(5-NITROFURAN-2-YL)METHYL]SULFANYL}-1,3-BENZOTHIAZOLE
| Molecular Formula | C12H8N2O3S2 |
|---|---|
| Molecular Weight | 292.00 g/mol |
| LogP | 4.0898 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.99762 |
| Heavy Atoms | 19 |
| Complexity | 702.24176 |
Chemical Identifiers
| CAS Number | 49790-72-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCC3=CC=C(O3)[N+](=O)[O-] |
Product Overview
Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- (CAS 49790-72-9), with molecular formula C12H8N2O3S2 and molecular weight 292.00 g/mol. IUPAC: 2-[(5-nitrofuran-2-yl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-
Property Insights of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-
The XLogP value of 4.0898 indicates that Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-. Following Lipinski's Rule of Five, Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-?
The CAS number of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- is 49790-72-9.
What is the molecular formula of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-?
The molecular formula of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- is C12H8N2O3S2.
What is the molecular weight of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-?
The molecular weight of Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- is 292.00 g/mol.
Where can I buy Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-?
You can request a quote for Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-[[(5-nitro-2-furanyl)methyl]thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.