ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate
TL;DR: ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate (CAS 55327-40-7) is a chemical compound with molecular formula C5H7N3O2S2 and molecular weight 205.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamate
Also Known As: ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate, ethyl 5-mercapto-1,3,4-thiadiazol-2-ylcarbamate, ethyl N-(5-thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)carbamate, Ethyl (5-mercapto-1,3,4-thiadiazol-2-yl)carbamate, AE-484/32879046
| Molecular Formula | C5H7N3O2S2 |
|---|---|
| Molecular Weight | 205.00 g/mol |
| LogP | 1.76909 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.99797 |
| Heavy Atoms | 12 |
| Complexity | 318.4933 |
Chemical Identifiers
| CAS Number | 55327-40-7 |
|---|---|
| SMILES | CCOC(=O)NC1=NNC(=S)S1 |
Product Overview
ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate (CAS 55327-40-7), with molecular formula C5H7N3O2S2 and molecular weight 205.00 g/mol. IUPAC: ethyl N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamate.
Chemical Property Profile of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate
Property Insights of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate
The XLogP value of 1.76909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate. Following Lipinski's Rule of Five, ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate has 2 hydrogen bond donor(s) and 5 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 ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate?
The CAS number of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate is 55327-40-7.
What is the molecular formula of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate?
The molecular formula of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate is C5H7N3O2S2.
What is the molecular weight of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate?
The molecular weight of ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate is 205.00 g/mol.
Where can I buy ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate?
You can request a quote for ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.