2-(Bis(methylsulfonyl)amino)benzothiazole
TL;DR: 2-(Bis(methylsulfonyl)amino)benzothiazole (CAS 73713-84-5) is a chemical compound with molecular formula C9H10N2O4S3 and molecular weight 305.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-N-methylsulfonylmethanesulfonamide
Also Known As: 2-(Bis(methylsulfonyl)amino)benzothiazole, BENZOTHIAZOLE, 2-(BIS(METHYLSULFONYL)AMINO)-, 2-(N,N-Bis(methanesulfonyl)amino)benzothiazole, 2-[Bis(methylsulfonyl)amino]benzothiazole, Benzothiazole, 2-[bis(methylsulfonyl)amino]-
| Molecular Formula | C9H10N2O4S3 |
|---|---|
| Molecular Weight | 305.98 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.98026 |
| Heavy Atoms | 18 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 73713-84-5 |
|---|---|
| SMILES | CS(=O)(=O)N(C1=NC2=CC=CC=C2S1)S(=O)(=O)C |
| InChIKey | KUFOUUCPSUHARX-UHFFFAOYSA-N |
Product Overview
2-(Bis(methylsulfonyl)amino)benzothiazole (CAS 73713-84-5), with molecular formula C9H10N2O4S3 and molecular weight 305.98 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-N-methylsulfonylmethanesulfonamide.
Chemical Property Profile of 2-(Bis(methylsulfonyl)amino)benzothiazole
Property Insights of 2-(Bis(methylsulfonyl)amino)benzothiazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Bis(methylsulfonyl)amino)benzothiazole. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Bis(methylsulfonyl)amino)benzothiazole. Following Lipinski's Rule of Five, 2-(Bis(methylsulfonyl)amino)benzothiazole has 0 hydrogen bond donor(s) and 7 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-(Bis(methylsulfonyl)amino)benzothiazole?
The CAS number of 2-(Bis(methylsulfonyl)amino)benzothiazole is 73713-84-5.
What is the molecular formula of 2-(Bis(methylsulfonyl)amino)benzothiazole?
The molecular formula of 2-(Bis(methylsulfonyl)amino)benzothiazole is C9H10N2O4S3.
What is the molecular weight of 2-(Bis(methylsulfonyl)amino)benzothiazole?
The molecular weight of 2-(Bis(methylsulfonyl)amino)benzothiazole is 305.98 g/mol.
Where can I buy 2-(Bis(methylsulfonyl)amino)benzothiazole?
You can request a quote for 2-(Bis(methylsulfonyl)amino)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Bis(methylsulfonyl)amino)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(Bis(methylsulfonyl)amino)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.