Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide
TL;DR: Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide (CAS 338419-91-3) is a chemical compound with molecular formula C7H12N2OS2 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylsulfinyl-4-methylthiadiazole
Also Known As: 5-butylsulfinyl-4-methylthiadiazole, butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide, 5-butylsulfinyl-4-methyl-thiadiazole, 5-(butane-1-sulfinyl)-4-methyl-1,2,3-thiadiazole, 5-(butylsulfinyl)-4-methyl-1,2,3-thiadiazole
| Molecular Formula | C7H12N2OS2 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.75422 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.03911 |
| Heavy Atoms | 12 |
| Complexity | 272.12503 |
Chemical Identifiers
| CAS Number | 338419-91-3 |
|---|---|
| SMILES | CCCCS(=O)C1=C(N=NS1)C |
Product Overview
Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide (CAS 338419-91-3), with molecular formula C7H12N2OS2 and molecular weight 204.04 g/mol. IUPAC: 5-butylsulfinyl-4-methylthiadiazole.
Chemical Property Profile of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide
Property Insights of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide
The XLogP value of 1.75422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide. With a topological polar surface area (TPSA) of 42.85 Ų, Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide has 0 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 Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide?
The CAS number of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide is 338419-91-3.
What is the molecular formula of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide?
The molecular formula of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide is C7H12N2OS2.
What is the molecular weight of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide?
The molecular weight of Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide is 204.04 g/mol.
Where can I buy Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide?
You can request a quote for Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-methyl-1,2,3-thiadiazol-5-yl sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.