![(3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester structure](/static/products/878/878427-78-2.png)
(3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester
TL;DR: (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester (CAS 878427-78-2) is a chemical compound with molecular formula C11H10ClN3O2S2 and molecular weight 314.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl)methyl N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)carbamate
Also Known As: BAS 13090945, BRD-K25850327-001-07-5, A3981/0169559, (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester, 4-chlorobenzyl (3-(methylthio)-1,2,4-thiadiazol-5-yl)carbamate
| Molecular Formula | C11H10ClN3O2S2 |
|---|---|
| Molecular Weight | 314.99 g/mol |
| LogP | 3.6621 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.9903 |
| Heavy Atoms | 19 |
| Complexity | 559.3229 |
Chemical Identifiers
| CAS Number | 878427-78-2 |
|---|---|
| SMILES | CSC1=NSC(=N1)NC(=O)OCC2=CC=C(C=C2)Cl |
Product Overview
(3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester (CAS 878427-78-2), with molecular formula C11H10ClN3O2S2 and molecular weight 314.99 g/mol. IUPAC: (4-chlorophenyl)methyl N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)carbamate.
Chemical Property Profile of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester
Property Insights of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester
The XLogP value of 3.6621 indicates that (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester. Following Lipinski's Rule of Five, (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester 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 (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester?
The CAS number of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester is 878427-78-2.
What is the molecular formula of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester?
The molecular formula of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester is C11H10ClN3O2S2.
What is the molecular weight of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester?
The molecular weight of (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester is 314.99 g/mol.
Where can I buy (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester?
You can request a quote for (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Methylsulfanyl-[1,2,4]thiadiazol-5-yl)-carbamic acid 4-chloro-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.