![4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one structure](/static/products/721/72167-81-8.png)
4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one
TL;DR: 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one (CAS 72167-81-8) is a chemical compound with molecular formula C16H12O2S and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylphenyl)sulfanylchromen-2-one
Also Known As: ICCB4_000103, 4-(2-methylphenyl)sulfanylchromen-2-one, 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one, 4-[(2-Methylphenyl)sulfanyl]-2H-1-benzopyran-2-one
| Molecular Formula | C16H12O2S |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 4.25262 |
| Topological Polar Surface Area | 30.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0558 |
| Heavy Atoms | 19 |
| Complexity | 789.85596 |
Chemical Identifiers
| CAS Number | 72167-81-8 |
|---|---|
| SMILES | CC1=CC=CC=C1SC2=CC(=O)OC3=CC=CC=C32 |
Product Overview
4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one (CAS 72167-81-8), with molecular formula C16H12O2S and molecular weight 268.06 g/mol. IUPAC: 4-(2-methylphenyl)sulfanylchromen-2-one.
Chemical Property Profile of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one
Property Insights of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one
The XLogP value of 4.25262 indicates that 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.21 Ų, 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one 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 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one?
The CAS number of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one is 72167-81-8.
What is the molecular formula of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one?
The molecular formula of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one is C16H12O2S.
What is the molecular weight of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one?
The molecular weight of 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one is 268.06 g/mol.
Where can I buy 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one?
You can request a quote for 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Methylphenyl)thio]-2H-1-benzopyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.