ChemDiv3_004197
TL;DR: ChemDiv3_004197 (CAS 162464-85-9) is a chemical compound with molecular formula C8H12N2O2S2 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,6aS)-5,5-dioxo-3-prop-2-enyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione
Also Known As: ChemDiv3_004197, IDI1_022107, BRD-K06256472-001-01-4, (3aS,6aR)-1-(prop-2-en-1-yl)tetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide, (3aS,6aR)-1-allyltetrahydro-1H-thieno[3,4-d]imidazole-2(3H)-thione 5,5-dioxide
| Molecular Formula | C8H12N2O2S2 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | -0.4719 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.03403 |
| Heavy Atoms | 14 |
| Complexity | 376.80252 |
Chemical Identifiers
| CAS Number | 162464-85-9 |
|---|---|
| SMILES | C=CCN1[C@H]2CS(=O)(=O)C[C@H]2NC1=S |
Product Overview
ChemDiv3_004197 (CAS 162464-85-9), with molecular formula C8H12N2O2S2 and molecular weight 232.03 g/mol. IUPAC: (3aR,6aS)-5,5-dioxo-3-prop-2-enyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole-2-thione.
Chemical Property Profile of ChemDiv3_004197
Property Insights of ChemDiv3_004197
The XLogP value of -0.4719 indicates that ChemDiv3_004197 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.41 Ų, ChemDiv3_004197 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_004197 has 1 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 ChemDiv3_004197?
The CAS number of ChemDiv3_004197 is 162464-85-9.
What is the molecular formula of ChemDiv3_004197?
The molecular formula of ChemDiv3_004197 is C8H12N2O2S2.
What is the molecular weight of ChemDiv3_004197?
The molecular weight of ChemDiv3_004197 is 232.03 g/mol.
Where can I buy ChemDiv3_004197?
You can request a quote for ChemDiv3_004197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004197?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.