N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)
TL;DR: N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) (CAS 7765-88-0) is a chemical compound with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-1,2-benzothiazol-3-amine;hydrochloride
Also Known As: CI 624 hydrochloride, N-methyl-1,2-benzothiazol-3-amine hydrochloride, 3-(Methylamino)-2,1-benzisothiazole hydrochloride, N-methyl-1,2-benzothiazol-3-aminehydrochloride, 2,1-Benzisothiazole, 3-(methylamino)-, hydrochloride
| Molecular Formula | C8H9ClN2S |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.7598 |
| Topological Polar Surface Area | 53.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.0175 |
| Heavy Atoms | 12 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 7765-88-0 |
|---|---|
| SMILES | CNC1=NSC2=CC=CC=C21.Cl |
| InChIKey | MHGXLCMBDVQNPF-UHFFFAOYSA-N |
Product Overview
N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) (CAS 7765-88-0), with molecular formula C8H9ClN2S and molecular weight 200.02 g/mol. IUPAC: N-methyl-1,2-benzothiazol-3-amine;hydrochloride.
Chemical Property Profile of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)
Property Insights of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)
The XLogP value of 2.7598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 53.2 Ų, N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) has 2 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-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)?
The CAS number of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) is 7765-88-0.
What is the molecular formula of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)?
The molecular formula of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) is C8H9ClN2S.
What is the molecular weight of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)?
The molecular weight of N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) is 200.02 g/mol.
Where can I buy N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)?
You can request a quote for N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for N-Methyl-1,2-benzothiazol-3(2H)-imine--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.