3-Methyl-2-benzothiazolinone acetone azine
TL;DR: 3-Methyl-2-benzothiazolinone acetone azine (CAS 53338-83-3) is a chemical compound with molecular formula C11H13N3S and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine
Also Known As: MBTAA, 3-Methyl-2-benzothiazolinone acetone azine, J1.044.175G, (E)-3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine, 2(3H)-Benzothiazolone, 3-methyl-, (1-methylethylidene)hydrazone
| Molecular Formula | C11H13N3S |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 2.5363 |
| Topological Polar Surface Area | 29.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.08302 |
| Heavy Atoms | 15 |
| Complexity | 570.7757 |
Chemical Identifiers
| CAS Number | 53338-83-3 |
|---|---|
| SMILES | CC(=N/N=C/1\N(C2=CC=CC=C2S1)C)C |
Product Overview
3-Methyl-2-benzothiazolinone acetone azine (CAS 53338-83-3), with molecular formula C11H13N3S and molecular weight 219.08 g/mol. IUPAC: (E)-3-methyl-N-(propan-2-ylideneamino)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-Methyl-2-benzothiazolinone acetone azine
Property Insights of 3-Methyl-2-benzothiazolinone acetone azine
The XLogP value of 2.5363 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2-benzothiazolinone acetone azine. With a topological polar surface area (TPSA) of 29.65 Ų, 3-Methyl-2-benzothiazolinone acetone azine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-benzothiazolinone acetone azine 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 3-Methyl-2-benzothiazolinone acetone azine?
The CAS number of 3-Methyl-2-benzothiazolinone acetone azine is 53338-83-3.
What is the molecular formula of 3-Methyl-2-benzothiazolinone acetone azine?
The molecular formula of 3-Methyl-2-benzothiazolinone acetone azine is C11H13N3S.
What is the molecular weight of 3-Methyl-2-benzothiazolinone acetone azine?
The molecular weight of 3-Methyl-2-benzothiazolinone acetone azine is 219.08 g/mol.
Where can I buy 3-Methyl-2-benzothiazolinone acetone azine?
You can request a quote for 3-Methyl-2-benzothiazolinone acetone azine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-benzothiazolinone acetone azine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-benzothiazolinone acetone azine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.