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3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione
TL;DR: 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione (CAS 13591-06-5) is a chemical compound with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione
Also Known As: 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione, 3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione, 1H-Pyrrolo[1,2-c]imidazole-1,5(6H)-dione,tetrahydro-3-thioxo-(9CI), 3-thioxo-2,6,7,7a-tetrahydro-2-azapyrrolizine-1,5-dione, A2020/0084769
| Molecular Formula | C6H6N2O2S |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | -0.6079 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.015 |
| Heavy Atoms | 11 |
| Complexity | 261.3079 |
Chemical Identifiers
| CAS Number | 13591-06-5 |
|---|---|
| SMILES | C1CC(=O)N2C1C(=O)NC2=S |
Product Overview
3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione (CAS 13591-06-5), with molecular formula C6H6N2O2S and molecular weight 170.01 g/mol. IUPAC: 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione.
Chemical Property Profile of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione
Property Insights of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione
The XLogP value of -0.6079 indicates that 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione 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, 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione 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 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione?
The CAS number of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione is 13591-06-5.
What is the molecular formula of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione?
The molecular formula of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione is C6H6N2O2S.
What is the molecular weight of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione?
The molecular weight of 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione is 170.01 g/mol.
Where can I buy 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione?
You can request a quote for 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-sulfanylidene-7,7a-dihydro-6H-pyrrolo[1,2-c]imidazole-1,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.