Phenyl-1,2,3-thiadiazol-5-ylmethanone
TL;DR: Phenyl-1,2,3-thiadiazol-5-ylmethanone (CAS 136918-89-3) is a chemical compound with molecular formula C9H6N2OS and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(thiadiazol-5-yl)methanone
Also Known As: 5-Benzoyl-1,2,3-thiadiazole, phenyl(thiadiazol-5-yl)methanone, Phenyl-1,2,3-thiadiazol-5-ylmethanone, Phenyl(1,2,3-thiadiazol-5-yl)methanone, Phenyl-[1,2,3]thiadiazol-5-yl-methanone
| Molecular Formula | C9H6N2OS |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 1.7691 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02008 |
| Heavy Atoms | 13 |
| Complexity | 396.81775 |
Chemical Identifiers
| CAS Number | 136918-89-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CN=NS2 |
Product Overview
Phenyl-1,2,3-thiadiazol-5-ylmethanone (CAS 136918-89-3), with molecular formula C9H6N2OS and molecular weight 190.02 g/mol. IUPAC: phenyl(thiadiazol-5-yl)methanone.
Chemical Property Profile of Phenyl-1,2,3-thiadiazol-5-ylmethanone
Property Insights of Phenyl-1,2,3-thiadiazol-5-ylmethanone
The XLogP value of 1.7691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl-1,2,3-thiadiazol-5-ylmethanone. With a topological polar surface area (TPSA) of 42.85 Ų, Phenyl-1,2,3-thiadiazol-5-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl-1,2,3-thiadiazol-5-ylmethanone has 0 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 Phenyl-1,2,3-thiadiazol-5-ylmethanone?
The CAS number of Phenyl-1,2,3-thiadiazol-5-ylmethanone is 136918-89-3.
What is the molecular formula of Phenyl-1,2,3-thiadiazol-5-ylmethanone?
The molecular formula of Phenyl-1,2,3-thiadiazol-5-ylmethanone is C9H6N2OS.
What is the molecular weight of Phenyl-1,2,3-thiadiazol-5-ylmethanone?
The molecular weight of Phenyl-1,2,3-thiadiazol-5-ylmethanone is 190.02 g/mol.
Where can I buy Phenyl-1,2,3-thiadiazol-5-ylmethanone?
You can request a quote for Phenyl-1,2,3-thiadiazol-5-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl-1,2,3-thiadiazol-5-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl-1,2,3-thiadiazol-5-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.