phenyl N-(thiadiazol-5-yl)carbamate
TL;DR: phenyl N-(thiadiazol-5-yl)carbamate (CAS 2039-13-6) is a chemical compound with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl N-(thiadiazol-5-yl)carbamate
Also Known As: phenyl N-(thiadiazol-5-yl)carbamate, phenyl 1,2,3-thiadiazol-5-ylcarbamate, 5-phenoxycarbonylamino-1,2,3-thiadiazole, RefChem:357288
| Molecular Formula | C9H7N3O2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.0259 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 2039-13-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)NC2=CN=NS2 |
| InChIKey | ALLQHEFPIVLZCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
phenyl N-(thiadiazol-5-yl)carbamate (CAS 2039-13-6), with molecular formula C9H7N3O2S and molecular weight 221.03 g/mol. IUPAC: phenyl N-(thiadiazol-5-yl)carbamate.
Chemical Property Profile of phenyl N-(thiadiazol-5-yl)carbamate
Property Insights of phenyl N-(thiadiazol-5-yl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for phenyl N-(thiadiazol-5-yl)carbamate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for phenyl N-(thiadiazol-5-yl)carbamate. Following Lipinski's Rule of Five, phenyl N-(thiadiazol-5-yl)carbamate has 1 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 phenyl N-(thiadiazol-5-yl)carbamate?
The CAS number of phenyl N-(thiadiazol-5-yl)carbamate is 2039-13-6.
What is the molecular formula of phenyl N-(thiadiazol-5-yl)carbamate?
The molecular formula of phenyl N-(thiadiazol-5-yl)carbamate is C9H7N3O2S.
What is the molecular weight of phenyl N-(thiadiazol-5-yl)carbamate?
The molecular weight of phenyl N-(thiadiazol-5-yl)carbamate is 221.03 g/mol.
Where can I buy phenyl N-(thiadiazol-5-yl)carbamate?
You can request a quote for phenyl N-(thiadiazol-5-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for phenyl N-(thiadiazol-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for phenyl N-(thiadiazol-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.