1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea
TL;DR: 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea (CAS 337497-04-8) is a chemical compound with molecular formula C17H18N2OS and molecular weight 298.11398 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea
Also Known As: BAS 01322425, 1-Isochroman-1-ylmethyl-3-phenyl-thiourea, BIM-0037966.P001, 1-(isochroman-1-ylmethyl)-3-phenylthiourea, 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea
Technical Specifications
| Molecular Formula | C17H18N2OS |
| Molecular Weight | 298.11398 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.11398 Da |
| Heavy Atoms | 21 |
| Complexity | 344.0 |
| SMILES | C1COC(C2=CC=CC=C21)CNC(=S)NC3=CC=CC=C3 |
| InChIKey | RNMLWSKPMWWGMD-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea
Property Insights of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea. Following Lipinski's Rule of Five, 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea?
The CAS number of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea is 337497-04-8.
What is the molecular formula of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea?
The molecular formula of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea is C17H18N2OS.
What is the molecular weight of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea?
The molecular weight of 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea is 298.11398 g/mol.
Where can I buy 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea?
You can request a quote for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea?
Yes, CoreyChem provides custom synthesis services for 1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.