2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole
TL;DR: 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole (CAS 632292-32-1) is a chemical compound with molecular formula C12H14N2O2S3 and molecular weight 314.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole
Also Known As: TimTec1_006315, 2-methylthio-6-(pyrrolidinylsulfonyl)benzothiazole, 2-methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole, A3133/0132473, 2-(methylthio)-6-(1-pyrrolidinylsulfonyl)-1,3-benzothiazole
| Molecular Formula | C12H14N2O2S3 |
|---|---|
| Molecular Weight | 314.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.02173 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 632292-32-1 |
|---|---|
| SMILES | CSC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N3CCCC3 |
| InChIKey | IXRLUAIHNLPINU-UHFFFAOYSA-N |
Product Overview
2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole (CAS 632292-32-1), with molecular formula C12H14N2O2S3 and molecular weight 314.02 g/mol. IUPAC: 2-methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole.
Chemical Property Profile of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole
Property Insights of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole has 0 hydrogen bond donor(s) and 6 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-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole?
The CAS number of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole is 632292-32-1.
What is the molecular formula of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole?
The molecular formula of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole is C12H14N2O2S3.
What is the molecular weight of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole?
The molecular weight of 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole is 314.02 g/mol.
Where can I buy 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole?
You can request a quote for 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylsulfanyl-6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.