3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione
TL;DR: 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione (CAS 39997-45-0) is a chemical compound with molecular formula C12H15PS and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1-phenyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole
Also Known As: 3,4-dimethyl-1-phenyl-1-sulfanylidene-2,5-dihydro-1, 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione, 3,4-dimethyl-1-phenyl-1-sulfanylidene-2,5-dihydro-1lambda5-phosph, RefChem:271157
| Molecular Formula | C12H15PS |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.0632 |
| Heavy Atoms | 14 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 39997-45-0 |
|---|---|
| SMILES | CC1=C(CP(=S)(C1)C2=CC=CC=C2)C |
| InChIKey | IYHZZMCCEKLQIU-UHFFFAOYSA-N |
Product Overview
3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione (CAS 39997-45-0), with molecular formula C12H15PS and molecular weight 222.06 g/mol. IUPAC: 3,4-dimethyl-1-phenyl-1-sulfanylidene-2,5-dihydro-1λ5-phosphole.
Chemical Property Profile of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione
Property Insights of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione. With a topological polar surface area (TPSA) of 32.1 Ų, 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-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 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione?
The CAS number of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione is 39997-45-0.
What is the molecular formula of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione?
The molecular formula of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione is C12H15PS.
What is the molecular weight of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione?
The molecular weight of 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione is 222.06 g/mol.
Where can I buy 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione?
You can request a quote for 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethyl-1-phenyl-2,5-dihydro-1H-1lambda~5~-phosphole-1-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.