Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-
TL;DR: Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- (CAS 57245-00-8) is a chemical compound with molecular formula C13H16N2S3 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methylpiperidin-1-yl)disulfanyl]-1,3-benzothiazole
Also Known As: Benzothiazole der., Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-, 2-(4-Methylpiperidinodithio)benzothiazole, 2-[(4-methylpiperidin-1-yl)disulfanyl]-1,3-benzothiazole, Benzothiazole, 2-[(4-methyl-1-piperidinyl)dithio]-
| Molecular Formula | C13H16N2S3 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.04758 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 57245-00-8 |
|---|---|
| SMILES | CC1CCN(CC1)SSC2=NC3=CC=CC=C3S2 |
| InChIKey | LUYWXMSNFQDMRA-UHFFFAOYSA-N |
Product Overview
Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- (CAS 57245-00-8), with molecular formula C13H16N2S3 and molecular weight 296.05 g/mol. IUPAC: 2-[(4-methylpiperidin-1-yl)disulfanyl]-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-
Property Insights of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-
The XLogP value of 4.8 indicates that Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-. Following Lipinski's Rule of Five, Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- 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 Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-?
The CAS number of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- is 57245-00-8.
What is the molecular formula of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-?
The molecular formula of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- is C13H16N2S3.
What is the molecular weight of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-?
The molecular weight of Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- is 296.05 g/mol.
Where can I buy Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-?
You can request a quote for Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 2-((4-methyl-1-piperidinyl)dithio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.