1-Methyl-3-phenylthiourea
TL;DR: 1-Methyl-3-phenylthiourea (CAS 31368-53-3) is a chemical compound with molecular formula C8H10N2S and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-phenylthiourea
Also Known As: 1-METHYL-3-PHENYLTHIOUREA, 1-Methyl-3-phenyl-2-thiourea, N-Methyl-N'-phenylthiourea, 1-Phenyl-3-methylthiourea, 3-methyl-1-phenylthiourea
| Molecular Formula | C8H10N2S |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.05647 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 31368-53-3 |
|---|---|
| SMILES | CNC(=S)NC1=CC=CC=C1 |
| InChIKey | IGEQFPWPMCIYDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-phenylthiourea (CAS 31368-53-3), with molecular formula C8H10N2S and molecular weight 166.06 g/mol. IUPAC: 1-methyl-3-phenylthiourea.
Chemical Property Profile of 1-Methyl-3-phenylthiourea
Property Insights of 1-Methyl-3-phenylthiourea
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-phenylthiourea. With a topological polar surface area (TPSA) of 56.2 Ų, 1-Methyl-3-phenylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-phenylthiourea 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-Methyl-3-phenylthiourea?
The CAS number of 1-Methyl-3-phenylthiourea is 31368-53-3.
What is the molecular formula of 1-Methyl-3-phenylthiourea?
The molecular formula of 1-Methyl-3-phenylthiourea is C8H10N2S.
What is the molecular weight of 1-Methyl-3-phenylthiourea?
The molecular weight of 1-Methyl-3-phenylthiourea is 166.06 g/mol.
Where can I buy 1-Methyl-3-phenylthiourea?
You can request a quote for 1-Methyl-3-phenylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-phenylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-phenylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.