N-butyl-3-methyl-1,3-benzothiazol-2-imine
TL;DR: N-butyl-3-methyl-1,3-benzothiazol-2-imine (CAS 70038-63-0) 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-3-methyl-1,3-benzothiazol-2-imine
Also Known As: N-butyl-3-methyl-benzothiazol-2-imine, N-butyl-3-methyl-1,3-benzothiazol-2-imine, butyl-(3-methyl-3H-benzothiazol-2-ylidene)-amine
| Molecular Formula | C12H16N2S |
|---|---|
| Molecular Weight | 220.10 g/mol |
| LogP | 2.9406 |
| Topological Polar Surface Area | 17.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10342 |
| Heavy Atoms | 15 |
| Complexity | 507.56165 |
Chemical Identifiers
| CAS Number | 70038-63-0 |
|---|---|
| SMILES | CCCCN=C1N(C2=CC=CC=C2S1)C |
Product Overview
N-butyl-3-methyl-1,3-benzothiazol-2-imine (CAS 70038-63-0), with molecular formula C12H16N2S and molecular weight 220.10 g/mol. IUPAC: N-butyl-3-methyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of N-butyl-3-methyl-1,3-benzothiazol-2-imine
Property Insights of N-butyl-3-methyl-1,3-benzothiazol-2-imine
The XLogP value of 2.9406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butyl-3-methyl-1,3-benzothiazol-2-imine. With a topological polar surface area (TPSA) of 17.29 Ų, N-butyl-3-methyl-1,3-benzothiazol-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butyl-3-methyl-1,3-benzothiazol-2-imine has 0 hydrogen bond donor(s) and 2 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-3-methyl-1,3-benzothiazol-2-imine?
The CAS number of N-butyl-3-methyl-1,3-benzothiazol-2-imine is 70038-63-0.
What is the molecular formula of N-butyl-3-methyl-1,3-benzothiazol-2-imine?
The molecular formula of N-butyl-3-methyl-1,3-benzothiazol-2-imine is C12H16N2S.
What is the molecular weight of N-butyl-3-methyl-1,3-benzothiazol-2-imine?
The molecular weight of N-butyl-3-methyl-1,3-benzothiazol-2-imine is 220.10 g/mol.
Where can I buy N-butyl-3-methyl-1,3-benzothiazol-2-imine?
You can request a quote for N-butyl-3-methyl-1,3-benzothiazol-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-3-methyl-1,3-benzothiazol-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3-methyl-1,3-benzothiazol-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.