3-Amino-1-(2,6-dimethylphenyl)thiourea
TL;DR: 3-Amino-1-(2,6-dimethylphenyl)thiourea (CAS 71496-99-6) is a chemical compound with molecular formula C9H13N3S and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(2,6-dimethylphenyl)thiourea
Also Known As: 4-(2,6-Dimethylphenyl)-3-thiosemicarbazide, n-(2,6-dimethylphenyl)hydrazinecarbothioamide, 1-amino-3-(2,6-dimethylphenyl)thiourea, 3-amino-1-(2,6-dimethylphenyl)thiourea, 2,6-Dimethylphenylthiosemicarbazide
| Molecular Formula | C9H13N3S |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 82.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.08302 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 71496-99-6 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=S)NN |
| InChIKey | YEOAXWBYZFHOIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-1-(2,6-dimethylphenyl)thiourea (CAS 71496-99-6), with molecular formula C9H13N3S and molecular weight 195.08 g/mol. IUPAC: 1-amino-3-(2,6-dimethylphenyl)thiourea.
Chemical Property Profile of 3-Amino-1-(2,6-dimethylphenyl)thiourea
Property Insights of 3-Amino-1-(2,6-dimethylphenyl)thiourea
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1-(2,6-dimethylphenyl)thiourea. The TPSA of 82.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1-(2,6-dimethylphenyl)thiourea. Following Lipinski's Rule of Five, 3-Amino-1-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)thiourea?
The CAS number of 3-Amino-1-(2,6-dimethylphenyl)thiourea is 71496-99-6.
What is the molecular formula of 3-Amino-1-(2,6-dimethylphenyl)thiourea?
The molecular formula of 3-Amino-1-(2,6-dimethylphenyl)thiourea is C9H13N3S.
What is the molecular weight of 3-Amino-1-(2,6-dimethylphenyl)thiourea?
The molecular weight of 3-Amino-1-(2,6-dimethylphenyl)thiourea is 195.08 g/mol.
Where can I buy 3-Amino-1-(2,6-dimethylphenyl)thiourea?
You can request a quote for 3-Amino-1-(2,6-dimethylphenyl)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-(2,6-dimethylphenyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1-(2,6-dimethylphenyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.