1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea
TL;DR: 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea (CAS 428834-72-4) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-3-(oxolan-2-ylmethyl)thiourea
Also Known As: 1-(3-methylphenyl)-3-(oxolan-2-ylmethyl)thiourea, 1-(3-methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea, N-(3-methylphenyl)-N'-(tetrahydro-2-furanylmethyl)thiourea
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.46042 |
| Topological Polar Surface Area | 33.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 388.76077 |
Chemical Identifiers
| CAS Number | 428834-72-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=S)NCC2CCCO2 |
Product Overview
1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea (CAS 428834-72-4), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 1-(3-methylphenyl)-3-(oxolan-2-ylmethyl)thiourea.
Chemical Property Profile of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea
Property Insights of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea
The XLogP value of 2.46042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea. With a topological polar surface area (TPSA) of 33.29 Ų, 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea 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
Frequently Asked Questions
What is the CAS number of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea?
The CAS number of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea is 428834-72-4.
What is the molecular formula of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea?
The molecular formula of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea is C13H18N2OS.
What is the molecular weight of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea?
The molecular weight of 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea is 250.11 g/mol.
Where can I buy 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea?
You can request a quote for 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-3-(tetrahydrofuran-2-ylmethyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.