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5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine
TL;DR: 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine (CAS 78305-03-0) is a chemical compound with molecular formula C8H6N4O2S2 and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
Also Known As: 5-[(4-nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine, 5-((4-Nitrophenyl)thio)-1,3,4-thiadiazol-2-amine, 5-(4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine, 1,3,4-Thiadiazol-2-amine, 5-[(4-nitrophenyl)thio]-, 5-(4-nitrophenyl)sulfanyl-3H-1,3,4-thiadiazol-2-imine
| Molecular Formula | C8H6N4O2S2 |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.99323 |
| Heavy Atoms | 16 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 78305-03-0 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])SC2=NN=C(S2)N |
| InChIKey | OPPQCJMYUXRMPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine (CAS 78305-03-0), with molecular formula C8H6N4O2S2 and molecular weight 253.99 g/mol. IUPAC: 5-(4-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine.
Chemical Property Profile of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine
Property Insights of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine. The TPSA of 151.0 Ų indicates high polarity, suggesting 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine has 1 hydrogen bond donor(s) and 7 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-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The CAS number of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine is 78305-03-0.
What is the molecular formula of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The molecular formula of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine is C8H6N4O2S2.
What is the molecular weight of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The molecular weight of 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine is 253.99 g/mol.
Where can I buy 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
You can request a quote for 5-[(4-Nitrophenyl)sulfanyl]-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 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Nitrophenyl)sulfanyl]-1,3,4-thiadiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.