![3-ethylbenzo[d]thiazol-2(3H)-imine structure](/static/products/5364/53641-17-1.webp)
3-ethylbenzo[d]thiazol-2(3H)-imine
TL;DR: 3-ethylbenzo[d]thiazol-2(3H)-imine (CAS 53641-17-1) is a chemical compound with molecular formula C9H10N2S and molecular weight 178.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-1,3-benzothiazol-2-imine
Also Known As: 3-ethylbenzo[d]thiazol-2(3H)-imine, 1-ethyl-1-phenylthiourea, 3-ethyl-2(3H)-Benzothiazolimine, 3-ethyl-1,3-benzothiazol-2-imine, 2-Imino-3-ethylbenzothiazoline
| Molecular Formula | C9H10N2S |
|---|---|
| Molecular Weight | 178.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.05647 |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 53641-17-1 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2SC1=N |
| InChIKey | JELNETBMNHYVQV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-ethylbenzo[d]thiazol-2(3H)-imine (CAS 53641-17-1), with molecular formula C9H10N2S and molecular weight 178.06 g/mol. IUPAC: 3-ethyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-ethylbenzo[d]thiazol-2(3H)-imine
Property Insights of 3-ethylbenzo[d]thiazol-2(3H)-imine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethylbenzo[d]thiazol-2(3H)-imine. With a topological polar surface area (TPSA) of 52.4 Ų, 3-ethylbenzo[d]thiazol-2(3H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethylbenzo[d]thiazol-2(3H)-imine has 1 hydrogen bond donor(s) and 2 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-ethylbenzo[d]thiazol-2(3H)-imine?
The CAS number of 3-ethylbenzo[d]thiazol-2(3H)-imine is 53641-17-1.
What is the molecular formula of 3-ethylbenzo[d]thiazol-2(3H)-imine?
The molecular formula of 3-ethylbenzo[d]thiazol-2(3H)-imine is C9H10N2S.
What is the molecular weight of 3-ethylbenzo[d]thiazol-2(3H)-imine?
The molecular weight of 3-ethylbenzo[d]thiazol-2(3H)-imine is 178.06 g/mol.
Where can I buy 3-ethylbenzo[d]thiazol-2(3H)-imine?
You can request a quote for 3-ethylbenzo[d]thiazol-2(3H)-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethylbenzo[d]thiazol-2(3H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-ethylbenzo[d]thiazol-2(3H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.