N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
TL;DR: N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide (CAS 391875-51-7) is a chemical compound with molecular formula C9H14ClN3OS2 and molecular weight 279.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
Also Known As: F0470-0407, N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide, N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-chloropropanamide, N-[5-(butan-2-ylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-chloropropanamide, N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]3-chloropropionamide
| Molecular Formula | C9H14ClN3OS2 |
|---|---|
| Molecular Weight | 279.03 g/mol |
| LogP | 2.9961 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.02667 |
| Heavy Atoms | 16 |
| Complexity | 345.25003 |
Chemical Identifiers
| CAS Number | 391875-51-7 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(S1)NC(=O)CCCl |
Product Overview
N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide (CAS 391875-51-7), with molecular formula C9H14ClN3OS2 and molecular weight 279.03 g/mol. IUPAC: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-3-chloropropanamide.
Chemical Property Profile of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
Property Insights of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide
The XLogP value of 2.9961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide. With a topological polar surface area (TPSA) of 54.88 Ų, N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide 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 N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
The CAS number of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide is 391875-51-7.
What is the molecular formula of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
The molecular formula of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide is C9H14ClN3OS2.
What is the molecular weight of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
The molecular weight of N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide is 279.03 g/mol.
Where can I buy N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
You can request a quote for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(sec-butylthio)-1,3,4-thiadiazol-2-yl)-3-chloropropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.