1-(2-Methylallyl)-3-phenyl-thiourea
TL;DR: 1-(2-Methylallyl)-3-phenyl-thiourea (CAS 25913-68-2) is a chemical compound with molecular formula C11H14N2S and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methylprop-2-enyl)-3-phenylthiourea
Also Known As: N-methallyl-N'-phenyl-thiourea, 1-(2-methylallyl)-3-phenyl-thiourea, 1-(2-Methylallyl)-3-phenyl-2-thiourea, 1-(2-methylprop-2-enyl)-3-phenylthiourea, N-(2-methyl-2-propen-1-yl)-N'-phenylthiourea
| Molecular Formula | C11H14N2S |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.08777 |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 25913-68-2 |
|---|---|
| SMILES | CC(=C)CNC(=S)NC1=CC=CC=C1 |
| InChIKey | WDEXQEFRTBKART-UHFFFAOYSA-N |
Product Overview
1-(2-Methylallyl)-3-phenyl-thiourea (CAS 25913-68-2), with molecular formula C11H14N2S and molecular weight 206.09 g/mol. IUPAC: 1-(2-methylprop-2-enyl)-3-phenylthiourea.
Chemical Property Profile of 1-(2-Methylallyl)-3-phenyl-thiourea
Property Insights of 1-(2-Methylallyl)-3-phenyl-thiourea
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methylallyl)-3-phenyl-thiourea. With a topological polar surface area (TPSA) of 56.2 Ų, 1-(2-Methylallyl)-3-phenyl-thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methylallyl)-3-phenyl-thiourea has 2 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 1-(2-Methylallyl)-3-phenyl-thiourea?
The CAS number of 1-(2-Methylallyl)-3-phenyl-thiourea is 25913-68-2.
What is the molecular formula of 1-(2-Methylallyl)-3-phenyl-thiourea?
The molecular formula of 1-(2-Methylallyl)-3-phenyl-thiourea is C11H14N2S.
What is the molecular weight of 1-(2-Methylallyl)-3-phenyl-thiourea?
The molecular weight of 1-(2-Methylallyl)-3-phenyl-thiourea is 206.09 g/mol.
Where can I buy 1-(2-Methylallyl)-3-phenyl-thiourea?
You can request a quote for 1-(2-Methylallyl)-3-phenyl-thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methylallyl)-3-phenyl-thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methylallyl)-3-phenyl-thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.