6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine
TL;DR: 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine (CAS 58199-49-8) is a chemical compound with molecular formula C8H7ClN2S and molecular weight 198.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methyl-1,3-benzothiazol-2-imine
Also Known As: 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine, 6-chloro-3-methyl-1,3-benzothiazol-2-imine, 6-chloro-3-methyl-2,3-dihydro-1,3-benzothiazol-2-imine, 6-chloro-3-methylbenzo[d]thiazol-2(3H)-imine, 3-Methyl-6-chlorobenzothiazol-2(3H)-imine
| Molecular Formula | C8H7ClN2S |
|---|---|
| Molecular Weight | 198.00 g/mol |
| LogP | 2.37267 |
| Topological Polar Surface Area | 28.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.00185 |
| Heavy Atoms | 12 |
| Complexity | 483.25378 |
Chemical Identifiers
| CAS Number | 58199-49-8 |
|---|---|
| SMILES | CN1C2=C(C=C(C=C2)Cl)SC1=N |
Product Overview
6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine (CAS 58199-49-8), with molecular formula C8H7ClN2S and molecular weight 198.00 g/mol. IUPAC: 6-chloro-3-methyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine
Property Insights of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine
The XLogP value of 2.37267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine. With a topological polar surface area (TPSA) of 28.78 Ų, 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine has 1 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 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine?
The CAS number of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine is 58199-49-8.
What is the molecular formula of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine?
The molecular formula of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine is C8H7ClN2S.
What is the molecular weight of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine?
The molecular weight of 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine is 198.00 g/mol.
Where can I buy 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine?
You can request a quote for 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-methyl-3H-benzothiazol-2-ylideneamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.