2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-
TL;DR: 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- (CAS 61381-64-4) is a chemical compound with molecular formula C13H9NO3S2 and molecular weight 291.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)-1,3-benzothiazol-2-one
Also Known As: 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-, 3-(benzenesulfonyl)benzothiazol-2-one, 3-phenylsulfonyl-2(3h)-benzothiazolone, 3-(benzenesulfonyl)-1,3-benzothiazol-2-one, 3-(Phenylsulfonyl)benzothiazole-2(3H)-one
| Molecular Formula | C13H9NO3S2 |
|---|---|
| Molecular Weight | 291.00 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.00238 |
| Heavy Atoms | 19 |
| Complexity | 892.28796 |
Chemical Identifiers
| CAS Number | 61381-64-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3SC2=O |
Product Overview
2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- (CAS 61381-64-4), with molecular formula C13H9NO3S2 and molecular weight 291.00 g/mol. IUPAC: 3-(benzenesulfonyl)-1,3-benzothiazol-2-one.
Chemical Property Profile of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-
Property Insights of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-. With a topological polar surface area (TPSA) of 56.14 Ų, 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- 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 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-?
The CAS number of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- is 61381-64-4.
What is the molecular formula of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-?
The molecular formula of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- is C13H9NO3S2.
What is the molecular weight of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-?
The molecular weight of 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- is 291.00 g/mol.
Where can I buy 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-?
You can request a quote for 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2(3H)-Benzothiazolone, 3-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.