3-Methyl-1,3-benzothiazol-2(3H)-imine
TL;DR: 3-Methyl-1,3-benzothiazol-2(3H)-imine (CAS 14779-16-9) is a chemical compound with molecular formula C8H8N2S and molecular weight 164.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1,3-benzothiazol-2-imine
Also Known As: 3-Methyl-1,3-benzothiazol-2(3H)-imine, 3-methyl-1,3-benzothiazol-2-imine, fmoc-asn(trt)-opfp, 3-methylbenzo[d]thiazol-2(3H)-imine, 2(3H)-Benzothiazolimine, 3-methyl-
| Molecular Formula | C8H8N2S |
|---|---|
| Molecular Weight | 164.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 164.04082 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 14779-16-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2SC1=N |
| InChIKey | VYFQTZSQRZCAGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-1,3-benzothiazol-2(3H)-imine (CAS 14779-16-9), with molecular formula C8H8N2S and molecular weight 164.04 g/mol. IUPAC: 3-methyl-1,3-benzothiazol-2-imine.
Chemical Property Profile of 3-Methyl-1,3-benzothiazol-2(3H)-imine
Property Insights of 3-Methyl-1,3-benzothiazol-2(3H)-imine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1,3-benzothiazol-2(3H)-imine. With a topological polar surface area (TPSA) of 52.4 Ų, 3-Methyl-1,3-benzothiazol-2(3H)-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1,3-benzothiazol-2(3H)-imine 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 3-Methyl-1,3-benzothiazol-2(3H)-imine?
The CAS number of 3-Methyl-1,3-benzothiazol-2(3H)-imine is 14779-16-9.
What is the molecular formula of 3-Methyl-1,3-benzothiazol-2(3H)-imine?
The molecular formula of 3-Methyl-1,3-benzothiazol-2(3H)-imine is C8H8N2S.
What is the molecular weight of 3-Methyl-1,3-benzothiazol-2(3H)-imine?
The molecular weight of 3-Methyl-1,3-benzothiazol-2(3H)-imine is 164.04 g/mol.
Where can I buy 3-Methyl-1,3-benzothiazol-2(3H)-imine?
You can request a quote for 3-Methyl-1,3-benzothiazol-2(3H)-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-1,3-benzothiazol-2(3H)-imine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1,3-benzothiazol-2(3H)-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.