2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride
TL;DR: 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride (CAS 201160-36-3) is a chemical compound with molecular formula C9H8FNO2S3 and molecular weight 276.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride
Also Known As: BAS 00245322, (2-benzothiazol-2-ylthioethyl)fluorosulfone, 2-(1,3-benzothiazol-2-ylsulfanyl)ethane-1-sulfonyl fluoride, 2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride, 2-(Benzothiazol-2-ylsulfanyl)-ethanesulfonyl fluoride
| Molecular Formula | C9H8FNO2S3 |
|---|---|
| Molecular Weight | 276.97 g/mol |
| LogP | 2.6877 |
| Topological Polar Surface Area | 47.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.97012 |
| Heavy Atoms | 16 |
| Complexity | 560.5748 |
Chemical Identifiers
| CAS Number | 201160-36-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SCCS(=O)(=O)F |
Product Overview
2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride (CAS 201160-36-3), with molecular formula C9H8FNO2S3 and molecular weight 276.97 g/mol. IUPAC: 2-(1,3-benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride.
Chemical Property Profile of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride
Property Insights of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride
The XLogP value of 2.6877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride. With a topological polar surface area (TPSA) of 47.03 Ų, 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride 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 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride?
The CAS number of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride is 201160-36-3.
What is the molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride?
The molecular formula of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride is C9H8FNO2S3.
What is the molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride?
The molecular weight of 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride is 276.97 g/mol.
Where can I buy 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride?
You can request a quote for 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzothiazol-2-ylsulfanyl)ethanesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.