![2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole structure](/static/products/3219/321973-70-0.webp)
2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole
TL;DR: 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole (CAS 321973-70-0) is a chemical compound with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole
Also Known As: ChemDiv3_005145, IDI1_023055, 2-[(3,4-Dimethoxybenzyl)thio]benzothiazole, J3.179.152I, 2-((3,4-dimethoxybenzyl)thio)benzo[d]thiazole
| Molecular Formula | C16H15NO2S2 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0544 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 321973-70-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CSC2=NC3=CC=CC=C3S2)OC |
| InChIKey | POJHJZHJCMZRCS-UHFFFAOYSA-N |
Product Overview
2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole (CAS 321973-70-0), with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole.
Chemical Property Profile of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole
Property Insights of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole
The XLogP value of 4.7 indicates that 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole 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
Frequently Asked Questions
What is the CAS number of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole?
The CAS number of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole is 321973-70-0.
What is the molecular formula of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole?
The molecular formula of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole is C16H15NO2S2.
What is the molecular weight of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole?
The molecular weight of 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole is 317.05 g/mol.
Where can I buy 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole?
You can request a quote for 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3,4-Dimethoxyphenyl)methylsulfanyl]-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.