![6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine structure](/static/products/4157/415715-93-4.webp)
6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine
TL;DR: 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine (CAS 415715-93-4) is a chemical compound with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-imine
Also Known As: 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine, 6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-imine, 6-chloro-3-prop-2-ynyl-benzothiazol-2-imine, F2145-0561, F2146-0239
| Molecular Formula | C10H7ClN2S |
|---|---|
| Molecular Weight | 222.00 g/mol |
| LogP | 2.46887 |
| Topological Polar Surface Area | 28.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00185 |
| Heavy Atoms | 14 |
| Complexity | 573.8 |
Chemical Identifiers
| CAS Number | 415715-93-4 |
|---|---|
| SMILES | C#CCN1C2=C(C=C(C=C2)Cl)SC1=N |
Product Overview
6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine (CAS 415715-93-4), with molecular formula C10H7ClN2S and molecular weight 222.00 g/mol. IUPAC: 6-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine
Property Insights of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine
The XLogP value of 2.46887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine. With a topological polar surface area (TPSA) of 28.78 Ų, 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-chloro-3-(prop-2-yn-1-yl)benzo[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 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine?
The CAS number of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine is 415715-93-4.
What is the molecular formula of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine?
The molecular formula of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine is C10H7ClN2S.
What is the molecular weight of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine?
The molecular weight of 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine is 222.00 g/mol.
Where can I buy 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine?
You can request a quote for 6-chloro-3-(prop-2-yn-1-yl)benzo[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 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 6-chloro-3-(prop-2-yn-1-yl)benzo[d]thiazol-2(3H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.