3-phenyl-2H-thiete
TL;DR: 3-phenyl-2H-thiete (CAS 72000-02-3) is a chemical compound with molecular formula C9H8S and molecular weight 148.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2H-thiete
Also Known As: 3-phenyl-2H-thiete, 2H-Thiete, 3-phenyl-, RefChem:281741
| Molecular Formula | C9H8S |
|---|---|
| Molecular Weight | 148.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 148.03467 |
| Heavy Atoms | 10 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 72000-02-3 |
|---|---|
| SMILES | C1C(=CS1)C2=CC=CC=C2 |
| InChIKey | SNYXEOMBRBQMDK-UHFFFAOYSA-N |
Product Overview
3-phenyl-2H-thiete (CAS 72000-02-3), with molecular formula C9H8S and molecular weight 148.03 g/mol. IUPAC: 3-phenyl-2H-thiete.
Chemical Property Profile of 3-phenyl-2H-thiete
Property Insights of 3-phenyl-2H-thiete
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-phenyl-2H-thiete. With a topological polar surface area (TPSA) of 25.3 Ų, 3-phenyl-2H-thiete exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-phenyl-2H-thiete has 0 hydrogen bond donor(s) and 1 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-phenyl-2H-thiete?
The CAS number of 3-phenyl-2H-thiete is 72000-02-3.
What is the molecular formula of 3-phenyl-2H-thiete?
The molecular formula of 3-phenyl-2H-thiete is C9H8S.
What is the molecular weight of 3-phenyl-2H-thiete?
The molecular weight of 3-phenyl-2H-thiete is 148.03 g/mol.
Where can I buy 3-phenyl-2H-thiete?
You can request a quote for 3-phenyl-2H-thiete directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenyl-2H-thiete?
Yes, KEHONG BIO provides custom synthesis services for 3-phenyl-2H-thiete and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.