3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione
TL;DR: 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione (CAS 22075-92-9) is a chemical compound with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(diethylaminomethyl)-1,3-benzothiazole-2-thione
Also Known As: BAS 00411551, 3-(diethylaminomethyl)-1,3-benzothiazole-2-thione, 3-Diethylaminomethyl-benzothiazolyl-2-thion, 2(3H)-Benzothiazolethione, 3-[(diethylamino)methyl]-, 3-(diethylamino-methyl)-3H-benzothiazole-2-thione
| Molecular Formula | C12H16N2S2 |
|---|---|
| Molecular Weight | 252.08 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 63.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.07549 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 22075-92-9 |
|---|---|
| SMILES | CCN(CC)CN1C2=CC=CC=C2SC1=S |
| InChIKey | ZKHCQSQRLDZAOP-UHFFFAOYSA-N |
Product Overview
3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione (CAS 22075-92-9), with molecular formula C12H16N2S2 and molecular weight 252.08 g/mol. IUPAC: 3-(diethylaminomethyl)-1,3-benzothiazole-2-thione.
Chemical Property Profile of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione
Property Insights of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione
The XLogP value of 3.3 indicates that 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione. Following Lipinski's Rule of Five, 3-(Diethylaminomethyl)-1,3-benzothiazole-2-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-(Diethylaminomethyl)-1,3-benzothiazole-2-thione?
The CAS number of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione is 22075-92-9.
What is the molecular formula of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione?
The molecular formula of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione is C12H16N2S2.
What is the molecular weight of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione?
The molecular weight of 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione is 252.08 g/mol.
Where can I buy 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione?
You can request a quote for 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylaminomethyl)-1,3-benzothiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.