![2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione structure](/static/products/851/851487-54-2.png)
2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione
TL;DR: 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione (CAS 851487-54-2) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7aS)-2-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3-thione
Also Known As: 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione, AJ-797/40757616, (7aS)-2-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3-thione, (7aS)-2-phenyl-2,5,6,7,7a-pentahydro-2-azapyrrolizine-3-thione
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.2559 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 376.46832 |
Chemical Identifiers
| CAS Number | 851487-54-2 |
|---|---|
| SMILES | C1C[C@H]2CN(C(=S)N2C1)C3=CC=CC=C3 |
Product Overview
2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione (CAS 851487-54-2), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: (7aS)-2-phenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole-3-thione.
Chemical Property Profile of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione
Property Insights of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione
The XLogP value of 2.2559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione. With a topological polar surface area (TPSA) of 6.48 Ų, 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione has 0 hydrogen bond donor(s) and 1 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 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione?
The CAS number of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione is 851487-54-2.
What is the molecular formula of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione?
The molecular formula of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione is C12H14N2S.
What is the molecular weight of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione?
The molecular weight of 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione is 218.09 g/mol.
Where can I buy 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione?
You can request a quote for 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-phenylhexahydro-3H-pyrrolo[1,2-c]imidazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.