苯丙噻二嗪
TL;DR: 苯丙噻二嗪 (CAS 255-18-5) is a chemical compound with molecular formula C7H6N2S and molecular weight 150.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯丙噻二嗪
2H-1,2,4-benzothiadiazine
Also Known As: Benzothiadiazine, 2H-1,2,4-benzothiadiazine, 4h-1,2,4-benzothiadiazine, 1,2,4-benzothiadiazine, 2H-Benzo[e]1,2,4-thiadiazine
| Molecular Formula | C7H6N2S |
|---|---|
| Molecular Weight | 150.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.02516 |
| Heavy Atoms | 10 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 255-18-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CNS2 |
| InChIKey | QRKDOAWSBBGNLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯丙噻二嗪 (CAS 255-18-5), with molecular formula C7H6N2S and molecular weight 150.03 g/mol. IUPAC: 2H-1,2,4-benzothiadiazine.
Chemical Property Profile of 苯丙噻二嗪
Property Insights of 苯丙噻二嗪
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苯丙噻二嗪. With a topological polar surface area (TPSA) of 49.7 Ų, 苯丙噻二嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯丙噻二嗪 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 苯丙噻二嗪?
The CAS number of 苯丙噻二嗪 is 255-18-5.
What is the molecular formula of 苯丙噻二嗪?
The molecular formula of 苯丙噻二嗪 is C7H6N2S.
What is the molecular weight of 苯丙噻二嗪?
The molecular weight of 苯丙噻二嗪 is 150.03 g/mol.
Where can I buy 苯丙噻二嗪?
You can request a quote for 苯丙噻二嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯丙噻二嗪?
Yes, KEHONG BIO provides custom synthesis services for 苯丙噻二嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.