3,8-Dihydro-2H-thiocin-2-one
TL;DR: 3,8-Dihydro-2H-thiocin-2-one (CAS 74764-26-4) is a chemical compound with molecular formula C7H8OS and molecular weight 140.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dihydrothiocin-8-one
Also Known As: 2,7-dihydrothiocin-8-one, 3,8-Dihydro-2H-thiocin-2-one, 2H-Thiocin-2-one, 3,8-dihydro-
| Molecular Formula | C7H8OS |
|---|---|
| Molecular Weight | 140.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.02959 |
| Heavy Atoms | 9 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 74764-26-4 |
|---|---|
| SMILES | C1C=CC=CCSC1=O |
| InChIKey | ZBHPEWYWQOFLPF-UHFFFAOYSA-N |
Product Overview
3,8-Dihydro-2H-thiocin-2-one (CAS 74764-26-4), with molecular formula C7H8OS and molecular weight 140.03 g/mol. IUPAC: 2,7-dihydrothiocin-8-one.
Chemical Property Profile of 3,8-Dihydro-2H-thiocin-2-one
Property Insights of 3,8-Dihydro-2H-thiocin-2-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,8-Dihydro-2H-thiocin-2-one. With a topological polar surface area (TPSA) of 42.4 Ų, 3,8-Dihydro-2H-thiocin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,8-Dihydro-2H-thiocin-2-one has 0 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 3,8-Dihydro-2H-thiocin-2-one?
The CAS number of 3,8-Dihydro-2H-thiocin-2-one is 74764-26-4.
What is the molecular formula of 3,8-Dihydro-2H-thiocin-2-one?
The molecular formula of 3,8-Dihydro-2H-thiocin-2-one is C7H8OS.
What is the molecular weight of 3,8-Dihydro-2H-thiocin-2-one?
The molecular weight of 3,8-Dihydro-2H-thiocin-2-one is 140.03 g/mol.
Where can I buy 3,8-Dihydro-2H-thiocin-2-one?
You can request a quote for 3,8-Dihydro-2H-thiocin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,8-Dihydro-2H-thiocin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,8-Dihydro-2H-thiocin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.