![3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione structure](/static/products/345/34587-98-9.png)
3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione
TL;DR: 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione (CAS 34587-98-9) is a chemical compound with molecular formula C12H16N2OS and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylaminomethyl)-1,3-benzoxazole-2-thione
Also Known As: ChemDiv3_000560, 3-(diethylamino-methyl)-3H-benzooxazole-2-thione, 3-(diethylaminomethyl)-1,3-benzoxazole-2-thione, 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione, 3-[(diethylamino)methyl]-2,3-dihydro-1,3-benzoxazole-2-thione
| Molecular Formula | C12H16N2OS |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.09833 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 34587-98-9 |
|---|---|
| SMILES | CCN(CC)CN1C2=CC=CC=C2OC1=S |
| InChIKey | WNTGMQRKGLCSML-UHFFFAOYSA-N |
Product Overview
3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione (CAS 34587-98-9), with molecular formula C12H16N2OS and molecular weight 236.10 g/mol. IUPAC: 3-(diethylaminomethyl)-1,3-benzoxazole-2-thione.
Chemical Property Profile of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione
Property Insights of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione. With a topological polar surface area (TPSA) of 47.8 Ų, 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione has 0 hydrogen bond donor(s) and 3 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 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione?
The CAS number of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione is 34587-98-9.
What is the molecular formula of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione?
The molecular formula of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione is C12H16N2OS.
What is the molecular weight of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione?
The molecular weight of 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione is 236.10 g/mol.
Where can I buy 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione?
You can request a quote for 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-[(diethylamino)methyl]-1,3-benzoxazole-2(3H)-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.