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5-Methylbenzo[d]thiazol-2(3H)-one
TL;DR: 5-Methylbenzo[d]thiazol-2(3H)-one (CAS 40925-61-9) is a chemical compound with molecular formula C8H7NOS and molecular weight 165.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3H-1,3-benzothiazol-2-one
Also Known As: 5-Methylbenzo[d]thiazol-2(3H)-one, 5-methyl-3H-1,3-benzothiazol-2-one, 2(3H)-Benzothiazolone,5-methyl-(9CI), 5-Methyl-2(3H)-benzothiazolone, 5-Methylbenzodthiazol-2(3H)-one
| Molecular Formula | C8H7NOS |
|---|---|
| Molecular Weight | 165.02 g/mol |
| LogP | 1.89802 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 165.02484 |
| Heavy Atoms | 11 |
| Complexity | 440.53394 |
Chemical Identifiers
| CAS Number | 40925-61-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)SC(=O)N2 |
Product Overview
5-Methylbenzo[d]thiazol-2(3H)-one (CAS 40925-61-9), with molecular formula C8H7NOS and molecular weight 165.02 g/mol. IUPAC: 5-methyl-3H-1,3-benzothiazol-2-one.
Chemical Property Profile of 5-Methylbenzo[d]thiazol-2(3H)-one
Property Insights of 5-Methylbenzo[d]thiazol-2(3H)-one
The XLogP value of 1.89802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylbenzo[d]thiazol-2(3H)-one. With a topological polar surface area (TPSA) of 32.86 Ų, 5-Methylbenzo[d]thiazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylbenzo[d]thiazol-2(3H)-one 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 5-Methylbenzo[d]thiazol-2(3H)-one?
The CAS number of 5-Methylbenzo[d]thiazol-2(3H)-one is 40925-61-9.
What is the molecular formula of 5-Methylbenzo[d]thiazol-2(3H)-one?
The molecular formula of 5-Methylbenzo[d]thiazol-2(3H)-one is C8H7NOS.
What is the molecular weight of 5-Methylbenzo[d]thiazol-2(3H)-one?
The molecular weight of 5-Methylbenzo[d]thiazol-2(3H)-one is 165.02 g/mol.
Where can I buy 5-Methylbenzo[d]thiazol-2(3H)-one?
You can request a quote for 5-Methylbenzo[d]thiazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylbenzo[d]thiazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylbenzo[d]thiazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.