![(3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione structure](/static/products/172/172539-22-9.png)
(3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
TL;DR: (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione (CAS 172539-22-9) is a chemical compound with molecular formula C12H13NO2S3 and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
Also Known As: (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione, (3aS,6aS)-3a-methyl-3-phenyltetrahydrothieno[3,4-d]thiazole-2(3H)-thione 5,5-dioxide, (3aS,6aS)-3a-methyl-4-phenyl-5-thioxo-1,3,4,6,3a,6a-hexahydro-2,6-dithia-4-aza pentalene-2,2-dione, REL-(3AR,6AR)-3A-METHYL-3-PHENYLTETRAHYDROTHIENO[3,4-D][1,3]THIAZOLE-2(3H)-THIONE 5,5-DIOXIDE
| Molecular Formula | C12H13NO2S3 |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 2.0804 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.01083 |
| Heavy Atoms | 18 |
| Complexity | 599.00836 |
Chemical Identifiers
| CAS Number | 172539-22-9 |
|---|---|
| SMILES | C[C@]12CS(=O)(=O)C[C@H]1SC(=S)N2C3=CC=CC=C3 |
Product Overview
(3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione (CAS 172539-22-9), with molecular formula C12H13NO2S3 and molecular weight 299.01 g/mol. IUPAC: (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione.
Chemical Property Profile of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
Property Insights of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione
The XLogP value of 2.0804 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione. With a topological polar surface area (TPSA) of 37.38 Ų, (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione has 0 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 (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione?
The CAS number of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione is 172539-22-9.
What is the molecular formula of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione?
The molecular formula of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione is C12H13NO2S3.
What is the molecular weight of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione?
The molecular weight of (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione is 299.01 g/mol.
Where can I buy (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione?
You can request a quote for (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione?
Yes, KEHONG BIO provides custom synthesis services for (3aS,6aS)-3a-methyl-5,5-dioxo-3-phenyl-6,6a-dihydro-4H-thieno[3,4-d][1,3]thiazole-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.