Thio-THIP
TL;DR: Thio-THIP (CAS 97164-95-9) is a chemical compound with molecular formula C6H8N2OS and molecular weight 156.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one
Also Known As: Thio-THIP, Edoxaban Impurity 87, 4,5,6,7-Tetrahydroisothiazolo[5,4-c]pyridin-3-ol, 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one, 4H,5H,6H,7H-[1,2]thiazolo[5,4-c]pyridin-3-ol
| Molecular Formula | C6H8N2OS |
|---|---|
| Molecular Weight | 156.04 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 156.03574 |
| Heavy Atoms | 10 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 97164-95-9 |
|---|---|
| SMILES | C1CNCC2=C1C(=O)NS2 |
| InChIKey | DZYJTJJQGHXSFN-UHFFFAOYSA-N |
Product Overview
Thio-THIP (CAS 97164-95-9), with molecular formula C6H8N2OS and molecular weight 156.04 g/mol. IUPAC: 4,5,6,7-tetrahydro-[1,2]thiazolo[5,4-c]pyridin-3-one.
Chemical Property Profile of Thio-THIP
Property Insights of Thio-THIP
The XLogP value of -0.7 indicates that Thio-THIP is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Thio-THIP. Following Lipinski's Rule of Five, Thio-THIP has 2 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 Thio-THIP?
The CAS number of Thio-THIP is 97164-95-9.
What is the molecular formula of Thio-THIP?
The molecular formula of Thio-THIP is C6H8N2OS.
What is the molecular weight of Thio-THIP?
The molecular weight of Thio-THIP is 156.04 g/mol.
Where can I buy Thio-THIP?
You can request a quote for Thio-THIP directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thio-THIP?
Yes, KEHONG BIO provides custom synthesis services for Thio-THIP and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.