3-Amino-1-((4-methoxyphenyl)methyl)thiourea
TL;DR: 3-Amino-1-((4-methoxyphenyl)methyl)thiourea (CAS 16808-56-3) is a chemical compound with molecular formula C9H13N3OS and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-[(4-methoxyphenyl)methyl]thiourea
Also Known As: 4-(4-Methoxybenzyl)-3-thiosemicarbazide, Maybridge4_003693, 1-amino-3-[(4-methoxyphenyl)methyl]thiourea, 3-amino-1-[(4-methoxyphenyl)methyl]thiourea, n-(4-methoxybenzyl)hydrazinecarbothioamide
| Molecular Formula | C9H13N3OS |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.07793 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 16808-56-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CNC(=S)NN |
| InChIKey | RJYHJXVBSQAYNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-((4-methoxyphenyl)methyl)thiourea (CAS 16808-56-3), with molecular formula C9H13N3OS and molecular weight 211.08 g/mol. IUPAC: 1-amino-3-[(4-methoxyphenyl)methyl]thiourea.
Chemical Property Profile of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea
Property Insights of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-((4-methoxyphenyl)methyl)thiourea. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-((4-methoxyphenyl)methyl)thiourea. Following Lipinski's Rule of Five, 3-Amino-1-((4-methoxyphenyl)methyl)thiourea has 3 hydrogen bond donor(s) and 3 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-Amino-1-((4-methoxyphenyl)methyl)thiourea?
The CAS number of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea is 16808-56-3.
What is the molecular formula of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea?
The molecular formula of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea is C9H13N3OS.
What is the molecular weight of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea?
The molecular weight of 3-Amino-1-((4-methoxyphenyl)methyl)thiourea is 211.08 g/mol.
Where can I buy 3-Amino-1-((4-methoxyphenyl)methyl)thiourea?
You can request a quote for 3-Amino-1-((4-methoxyphenyl)methyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1-((4-methoxyphenyl)methyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-((4-methoxyphenyl)methyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.