3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine
TL;DR: 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine (CAS 63149-32-6) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine
Also Known As: NCIOpen2_001016, 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine, Formaldehyde, (3-methyl-2(3H)-benzothiazolylidene)hydrazone (9CI)
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 63149-32-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=NN=C |
| InChIKey | MZWNQHHNKIXXDJ-UHFFFAOYSA-N |
Product Overview
3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine (CAS 63149-32-6), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine
Property Insights of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine
The XLogP value of 3.8 indicates that 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.3 Ų, 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine 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-N-(methylideneamino)-1,3-benzothiazol-2-imine?
The CAS number of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine is 63149-32-6.
What is the molecular formula of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine?
The molecular formula of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine is C9H9N3S.
What is the molecular weight of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine?
The molecular weight of 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine is 191.05 g/mol.
Where can I buy 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine?
You can request a quote for 3-methyl-N-(methylideneamino)-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 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-N-(methylideneamino)-1,3-benzothiazol-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.