Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone
TL;DR: Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone (CAS 400086-10-4) is a chemical compound with molecular formula C10H10N2O2S2 and molecular weight 254.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfonyl-4-methylthiadiazole
Also Known As: benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone, 5-benzylsulfonyl-4-methylthiadiazole, 4-methyl-5-phenylmethanesulfonyl-1,2,3-thiadiazole, 5-benzylsulfonyl-4-methyl-thiadiazole, 7E-407S
| Molecular Formula | C10H10N2O2S2 |
|---|---|
| Molecular Weight | 254.02 g/mol |
| LogP | 1.82042 |
| Topological Polar Surface Area | 59.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.01837 |
| Heavy Atoms | 16 |
| Complexity | 575.87634 |
Chemical Identifiers
| CAS Number | 400086-10-4 |
|---|---|
| SMILES | CC1=C(SN=N1)S(=O)(=O)CC2=CC=CC=C2 |
Product Overview
Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone (CAS 400086-10-4), with molecular formula C10H10N2O2S2 and molecular weight 254.02 g/mol. IUPAC: 5-benzylsulfonyl-4-methylthiadiazole.
Chemical Property Profile of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone
Property Insights of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone
The XLogP value of 1.82042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone. With a topological polar surface area (TPSA) of 59.92 Ų, Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone has 0 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 Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone?
The CAS number of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone is 400086-10-4.
What is the molecular formula of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone?
The molecular formula of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone is C10H10N2O2S2.
What is the molecular weight of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone?
The molecular weight of Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone is 254.02 g/mol.
Where can I buy Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone?
You can request a quote for Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 4-methyl-1,2,3-thiadiazol-5-yl sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.