Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate
TL;DR: Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate (CAS 26861-58-5) is a chemical compound with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate
Also Known As: phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate, AI-204/31756001, phenyl N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate
| Molecular Formula | C10H9N3O2S2 |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 2.8709 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0136 |
| Heavy Atoms | 17 |
| Complexity | 501.26193 |
Chemical Identifiers
| CAS Number | 26861-58-5 |
|---|---|
| SMILES | CSC1=NN=C(S1)NC(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate (CAS 26861-58-5), with molecular formula C10H9N3O2S2 and molecular weight 267.01 g/mol. IUPAC: phenyl N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)carbamate.
Chemical Property Profile of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate
Property Insights of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate
The XLogP value of 2.8709 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate. Following Lipinski's Rule of Five, Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate has 1 hydrogen bond donor(s) and 6 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 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate?
The CAS number of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate is 26861-58-5.
What is the molecular formula of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate?
The molecular formula of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate is C10H9N3O2S2.
What is the molecular weight of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate?
The molecular weight of Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate is 267.01 g/mol.
Where can I buy Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate?
You can request a quote for Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 5-(methylsulfanyl)-1,3,4-thiadiazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.