N-phenyl-1,3,4-thiadiazol-2-amine
TL;DR: N-phenyl-1,3,4-thiadiazol-2-amine (CAS 61083-04-3) is a chemical compound with molecular formula C8H7N3S and molecular weight 177.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenyl-1,3,4-thiadiazol-2-amine
Also Known As: N-phenyl-1,3,4-thiadiazol-2-amine, anilino-1,3,4-thiadiazole, N-phenyl-1,3,4-thiadiazole-2-amine, phenyl-1,3,4-thiadiazol-2-ylamine, 1,3,4-Thiadiazol-2-amine, N-phenyl-
| Molecular Formula | C8H7N3S |
|---|---|
| Molecular Weight | 177.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.03607 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 61083-04-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NN=CS2 |
| InChIKey | BHJAUMXRPZNJEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenyl-1,3,4-thiadiazol-2-amine (CAS 61083-04-3), with molecular formula C8H7N3S and molecular weight 177.04 g/mol. IUPAC: N-phenyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of N-phenyl-1,3,4-thiadiazol-2-amine
Property Insights of N-phenyl-1,3,4-thiadiazol-2-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenyl-1,3,4-thiadiazol-2-amine. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-phenyl-1,3,4-thiadiazol-2-amine. Following Lipinski's Rule of Five, N-phenyl-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 4 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 N-phenyl-1,3,4-thiadiazol-2-amine?
The CAS number of N-phenyl-1,3,4-thiadiazol-2-amine is 61083-04-3.
What is the molecular formula of N-phenyl-1,3,4-thiadiazol-2-amine?
The molecular formula of N-phenyl-1,3,4-thiadiazol-2-amine is C8H7N3S.
What is the molecular weight of N-phenyl-1,3,4-thiadiazol-2-amine?
The molecular weight of N-phenyl-1,3,4-thiadiazol-2-amine is 177.04 g/mol.
Where can I buy N-phenyl-1,3,4-thiadiazol-2-amine?
You can request a quote for N-phenyl-1,3,4-thiadiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenyl-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-phenyl-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.