(5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate
TL;DR: (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate (CAS 845879-18-7) is a chemical compound with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)carbamate
Also Known As: (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate, 5-benzylthio-1,2,4-thiadiazol-3-yl-phenylcarbamate, (5-benzylthio-1,2,4-thiadiazol-3-yl)phenylcarbamate, phenyl N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)carbamate
| Molecular Formula | C16H13N3O2S2 |
|---|---|
| Molecular Weight | 343.04 g/mol |
| LogP | 4.4413 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.04492 |
| Heavy Atoms | 23 |
| Complexity | 763.2661 |
Chemical Identifiers
| CAS Number | 845879-18-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC(=NS2)NC(=O)OC3=CC=CC=C3 |
Product Overview
(5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate (CAS 845879-18-7), with molecular formula C16H13N3O2S2 and molecular weight 343.04 g/mol. IUPAC: phenyl N-(5-benzylsulfanyl-1,2,4-thiadiazol-3-yl)carbamate.
Chemical Property Profile of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate
Property Insights of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate
The XLogP value of 4.4413 indicates that (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate 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 (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate. Following Lipinski's Rule of Five, (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate 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 (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate?
The CAS number of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate is 845879-18-7.
What is the molecular formula of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate?
The molecular formula of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate is C16H13N3O2S2.
What is the molecular weight of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate?
The molecular weight of (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate is 343.04 g/mol.
Where can I buy (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate?
You can request a quote for (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for (5-Benzylthio-1,2,4-thiadiazol-3-yl) phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.