二(三氟甲基)二硫杂环丁烯
TL;DR: 二(三氟甲基)二硫杂环丁烯 (CAS 360-91-8) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二(三氟甲基)二硫杂环丁烯
5-phenyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-Phenyl-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine, 5-phenyl-, 2-Amino-5-phenyl-1,3,4-thiadiazole, 5-Phenyl-[1,3,4]thiadiazol-2-ylamine, 5-phenyl-1,3,4-thiadiazol-2-amin
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 360-91-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(S2)N |
| InChIKey | UHZHEOAEJRHUBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二(三氟甲基)二硫杂环丁烯 (CAS 360-91-8), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: 5-phenyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 二(三氟甲基)二硫杂环丁烯
Property Insights of 二(三氟甲基)二硫杂环丁烯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二(三氟甲基)二硫杂环丁烯. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 二(三氟甲基)二硫杂环丁烯. Following Lipinski's Rule of Five, 二(三氟甲基)二硫杂环丁烯 has 1 hydrogen bond donor(s) and 4 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 二(三氟甲基)二硫杂环丁烯?
The CAS number of 二(三氟甲基)二硫杂环丁烯 is 360-91-8.
What is the molecular formula of 二(三氟甲基)二硫杂环丁烯?
The molecular formula of 二(三氟甲基)二硫杂环丁烯 is C8H7N3S.
What is the molecular weight of 二(三氟甲基)二硫杂环丁烯?
The molecular weight of 二(三氟甲基)二硫杂环丁烯 is 177.04 g/mol.
Where can I buy 二(三氟甲基)二硫杂环丁烯?
You can request a quote for 二(三氟甲基)二硫杂环丁烯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二(三氟甲基)二硫杂环丁烯?
Yes, KEHONG BIO provides custom synthesis services for 二(三氟甲基)二硫杂环丁烯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.