![Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- structure](/static/products/396/396653-28-4.png)
Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-
TL;DR: Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- (CAS 396653-28-4) is a chemical compound with molecular formula C12H15NS2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butylsulfanyl-2-methyl-1,3-benzothiazole
Also Known As: 2-methyl-5-tert-butylsulfanyl-benzothiazole, Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-, 5-tert-butylsulfanyl-2-methyl-1,3-benzothiazole, Benzothiazole,5-[(1,1-dimethylethyl)thio]-2-methyl, 5-(TERT-BUTYLSULFANYL)-2-METHYL-1,3-BENZOTHIAZOLE
| Molecular Formula | C12H15NS2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 4.49532 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.06459 |
| Heavy Atoms | 15 |
| Complexity | 479.81805 |
Chemical Identifiers
| CAS Number | 396653-28-4 |
|---|---|
| SMILES | CC1=NC2=C(S1)C=CC(=C2)SC(C)(C)C |
Product Overview
Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- (CAS 396653-28-4), with molecular formula C12H15NS2 and molecular weight 237.06 g/mol. IUPAC: 5-tert-butylsulfanyl-2-methyl-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-
Property Insights of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-
The XLogP value of 4.49532 indicates that Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- has 0 hydrogen bond donor(s) and 3 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, 5-[(1,1-dimethylethyl)thio]-2-methyl-?
The CAS number of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- is 396653-28-4.
What is the molecular formula of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-?
The molecular formula of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- is C12H15NS2.
What is the molecular weight of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-?
The molecular weight of Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- is 237.06 g/mol.
Where can I buy Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-?
You can request a quote for Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 5-[(1,1-dimethylethyl)thio]-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.