N-butyl-6-methyl-1,3-benzothiazol-2-amine
TL;DR: N-butyl-6-methyl-1,3-benzothiazol-2-amine (CAS 85063-64-5) is a chemical compound with molecular formula C12H16N2S and molecular weight 220.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-6-methyl-1,3-benzothiazol-2-amine
Also Known As: N-butyl-6-methyl-1,3-benzothiazol-2-amine, Butyl-(6-methyl-benzothiazol-2-yl)-amine, 2-Benzothiazolamine,N-butyl-6-methyl-(9CI), N-butyl-6-methylbenzo[d]thiazol-2-amine, 2-Benzothiazolamine, N-butyl-6-methyl- (9CI)
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 3.81672 |
| Topological Polar Surface Area | 24.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 447.81888 |
Chemical Identifiers
| CAS Number | 85063-64-5 |
|---|---|
| SMILES | CCCCNC1=NC2=C(S1)C=C(C=C2)C |
Product Overview
N-butyl-6-methyl-1,3-benzothiazol-2-amine (CAS 85063-64-5), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: N-butyl-6-methyl-1,3-benzothiazol-2-amine.
Chemical Property Profile of N-butyl-6-methyl-1,3-benzothiazol-2-amine
Property Insights of N-butyl-6-methyl-1,3-benzothiazol-2-amine
The XLogP value of 3.81672 indicates that N-butyl-6-methyl-1,3-benzothiazol-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.92 Ų, N-butyl-6-methyl-1,3-benzothiazol-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-6-methyl-1,3-benzothiazol-2-amine has 1 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 N-butyl-6-methyl-1,3-benzothiazol-2-amine?
The CAS number of N-butyl-6-methyl-1,3-benzothiazol-2-amine is 85063-64-5.
What is the molecular formula of N-butyl-6-methyl-1,3-benzothiazol-2-amine?
The molecular formula of N-butyl-6-methyl-1,3-benzothiazol-2-amine is C12H16N2S.
What is the molecular weight of N-butyl-6-methyl-1,3-benzothiazol-2-amine?
The molecular weight of N-butyl-6-methyl-1,3-benzothiazol-2-amine is 220.10 g/mol.
Where can I buy N-butyl-6-methyl-1,3-benzothiazol-2-amine?
You can request a quote for N-butyl-6-methyl-1,3-benzothiazol-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-6-methyl-1,3-benzothiazol-2-amine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-6-methyl-1,3-benzothiazol-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.