3-Amino-1-(4-methylphenyl)thiourea
TL;DR: 3-Amino-1-(4-methylphenyl)thiourea (CAS 21179-18-0) is a chemical compound with molecular formula C8H11N3S and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-methylphenyl)thiourea
Also Known As: 4-(4-Methylphenyl)-3-thiosemicarbazide, N-(p-Tolyl)hydrazinecarbothioamide, 3-amino-1-(4-methylphenyl)thiourea, 1-amino-3-(4-methylphenyl)thiourea, 4-(p-tolyl)thiosemicarbazide
| Molecular Formula | C8H11N3S |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.06737 |
| Heavy Atoms | 12 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 21179-18-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NN |
| InChIKey | IEAWRKQVDLFINI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-(4-methylphenyl)thiourea (CAS 21179-18-0), with molecular formula C8H11N3S and molecular weight 181.07 g/mol. IUPAC: 1-amino-3-(4-methylphenyl)thiourea.
Chemical Property Profile of 3-Amino-1-(4-methylphenyl)thiourea
Property Insights of 3-Amino-1-(4-methylphenyl)thiourea
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-(4-methylphenyl)thiourea. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-(4-methylphenyl)thiourea. Following Lipinski's Rule of Five, 3-Amino-1-(4-methylphenyl)thiourea has 3 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 3-Amino-1-(4-methylphenyl)thiourea?
The CAS number of 3-Amino-1-(4-methylphenyl)thiourea is 21179-18-0.
What is the molecular formula of 3-Amino-1-(4-methylphenyl)thiourea?
The molecular formula of 3-Amino-1-(4-methylphenyl)thiourea is C8H11N3S.
What is the molecular weight of 3-Amino-1-(4-methylphenyl)thiourea?
The molecular weight of 3-Amino-1-(4-methylphenyl)thiourea is 181.07 g/mol.
Where can I buy 3-Amino-1-(4-methylphenyl)thiourea?
You can request a quote for 3-Amino-1-(4-methylphenyl)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-methylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-(4-methylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.