![3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one structure](/static/products/1898/189895-61-2.webp)
3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
TL;DR: 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one (CAS 189895-61-2) is a chemical compound with molecular formula C11H7N3OS3 and molecular weight 292.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
Also Known As: NCI60_017586, 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one, 3-phenyl-5-sulfanyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one, 3-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one, 7-hydroxy-3-phenyl-5-sulfanyl-thiazolo[4,5-d]pyrimidine-2-thione
| Molecular Formula | C11H7N3OS3 |
|---|---|
| Molecular Weight | 292.98 g/mol |
| LogP | 3.16738 |
| Topological Polar Surface Area | 53.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.97513 |
| Heavy Atoms | 18 |
| Complexity | 885.5228 |
Chemical Identifiers
| CAS Number | 189895-61-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C(=O)NC(=S)N3)SC2=S |
Product Overview
3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one (CAS 189895-61-2), with molecular formula C11H7N3OS3 and molecular weight 292.98 g/mol. IUPAC: 3-phenyl-2,5-bis(sulfanylidene)-4H-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
Chemical Property Profile of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
Property Insights of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one
The XLogP value of 3.16738 indicates that 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.58 Ų, 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one has 2 hydrogen bond donor(s) and 4 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-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one?
The CAS number of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one is 189895-61-2.
What is the molecular formula of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one?
The molecular formula of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one is C11H7N3OS3.
What is the molecular weight of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one?
The molecular weight of 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one is 292.98 g/mol.
Where can I buy 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one?
You can request a quote for 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.