3-Amino-1-(4-methoxyphenyl)thiourea
TL;DR: 3-Amino-1-(4-methoxyphenyl)thiourea (CAS 40431-44-5) is a chemical compound with molecular formula C8H11N3OS and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-methoxyphenyl)thiourea
Also Known As: 4-(4-Methoxyphenyl)-3-thiosemicarbazide, 3-amino-1-(4-methoxyphenyl)thiourea, 1-amino-3-(4-methoxyphenyl)thiourea, n-(4-methoxyphenyl)hydrazinecarbothioamide, 4-(4-Methoxyphenyl)thiosemicarbazide
| Molecular Formula | C8H11N3OS |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.06229 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 40431-44-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=S)NN |
| InChIKey | XFTUQILJEQYQHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-(4-methoxyphenyl)thiourea (CAS 40431-44-5), with molecular formula C8H11N3OS and molecular weight 197.06 g/mol. IUPAC: 1-amino-3-(4-methoxyphenyl)thiourea.
Chemical Property Profile of 3-Amino-1-(4-methoxyphenyl)thiourea
Property Insights of 3-Amino-1-(4-methoxyphenyl)thiourea
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-(4-methoxyphenyl)thiourea. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-(4-methoxyphenyl)thiourea. Following Lipinski's Rule of Five, 3-Amino-1-(4-methoxyphenyl)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)thiourea?
The CAS number of 3-Amino-1-(4-methoxyphenyl)thiourea is 40431-44-5.
What is the molecular formula of 3-Amino-1-(4-methoxyphenyl)thiourea?
The molecular formula of 3-Amino-1-(4-methoxyphenyl)thiourea is C8H11N3OS.
What is the molecular weight of 3-Amino-1-(4-methoxyphenyl)thiourea?
The molecular weight of 3-Amino-1-(4-methoxyphenyl)thiourea is 197.06 g/mol.
Where can I buy 3-Amino-1-(4-methoxyphenyl)thiourea?
You can request a quote for 3-Amino-1-(4-methoxyphenyl)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)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-(4-methoxyphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.