4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide
TL;DR: 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide (CAS 392244-01-8) is a chemical compound with molecular formula C6H8ClN3OS2 and molecular weight 236.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide
Also Known As: F0326-1002, 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide, 4-chloro-N-(5-sulfanyl-1,3,4-thiadiazol-2-yl)butanamide, 4-chloro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide, N-(5-mercapto-1,3,4-thiadiazol-2-yl)4-chlorobutyramide
| Molecular Formula | C6H8ClN3OS2 |
|---|---|
| Molecular Weight | 236.98 g/mol |
| LogP | 2.15819 |
| Topological Polar Surface Area | 57.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.97974 |
| Heavy Atoms | 13 |
| Complexity | 334.6204 |
Chemical Identifiers
| CAS Number | 392244-01-8 |
|---|---|
| SMILES | C(CC(=O)NC1=NNC(=S)S1)CCl |
Product Overview
4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide (CAS 392244-01-8), with molecular formula C6H8ClN3OS2 and molecular weight 236.98 g/mol. IUPAC: 4-chloro-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)butanamide.
Chemical Property Profile of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide
Property Insights of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide
The XLogP value of 2.15819 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide. With a topological polar surface area (TPSA) of 57.78 Ų, 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide has 2 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 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide?
The CAS number of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide is 392244-01-8.
What is the molecular formula of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide?
The molecular formula of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide is C6H8ClN3OS2.
What is the molecular weight of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide?
The molecular weight of 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide is 236.98 g/mol.
Where can I buy 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide?
You can request a quote for 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-(5-mercapto-1,3,4-thiadiazol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.