3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one
TL;DR: 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one (CAS 89942-61-0) is a chemical compound with molecular formula C8H7NO3S2 and molecular weight 228.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfonyl-1,3-benzothiazol-2-one
Also Known As: BAS 08977287, 3-Methanesulfonyl-3H-benzothiazol-2-one, 3-methylsulfonyl-1,3-benzothiazol-2-one, 2(3H)-Benzothiazolone, 3-(methylsulfonyl), 3-(Methylsulfonyl)benzothiazole-2(3H)-one
| Molecular Formula | C8H7NO3S2 |
|---|---|
| Molecular Weight | 228.99 g/mol |
| LogP | 0.8707 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.98674 |
| Heavy Atoms | 14 |
| Complexity | 635.8953 |
Chemical Identifiers
| CAS Number | 89942-61-0 |
|---|---|
| SMILES | CS(=O)(=O)N1C2=CC=CC=C2SC1=O |
Product Overview
3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one (CAS 89942-61-0), with molecular formula C8H7NO3S2 and molecular weight 228.99 g/mol. IUPAC: 3-methylsulfonyl-1,3-benzothiazol-2-one.
Chemical Property Profile of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one
Property Insights of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one
The XLogP value of 0.8707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one. With a topological polar surface area (TPSA) of 56.14 Ų, 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one 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 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one?
The CAS number of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one is 89942-61-0.
What is the molecular formula of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one?
The molecular formula of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one is C8H7NO3S2.
What is the molecular weight of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one?
The molecular weight of 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one is 228.99 g/mol.
Where can I buy 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one?
You can request a quote for 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfonyl)-1,3-benzothiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.