4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
TL;DR: 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide (CAS 122813-72-3) is a chemical compound with molecular formula C9H12BrN3S and molecular weight 272.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-bromo-2,6-dimethylphenyl)thiourea
Also Known As: Cloretate, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide, N-(4-Bromo-2,6-dimethylphenyl)hydrazinecarbothioamide, 1-amino-3-(4-bromo-2,6-dimethylphenyl)thiourea, 3-amino-1-(4-bromo-2,6-dimethylphenyl)thiourea
| Molecular Formula | C9H12BrN3S |
|---|---|
| Molecular Weight | 272.99 g/mol |
| LogP | 2.22604 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.99353 |
| Heavy Atoms | 14 |
| Complexity | 342.06985 |
Chemical Identifiers
| CAS Number | 122813-72-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1NC(=S)NN)C)Br |
Product Overview
4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide (CAS 122813-72-3), with molecular formula C9H12BrN3S and molecular weight 272.99 g/mol. IUPAC: 1-amino-3-(4-bromo-2,6-dimethylphenyl)thiourea.
Chemical Property Profile of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
Property Insights of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide
The XLogP value of 2.22604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide 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 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide?
The CAS number of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide is 122813-72-3.
What is the molecular formula of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide?
The molecular formula of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide is C9H12BrN3S.
What is the molecular weight of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide?
The molecular weight of 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide is 272.99 g/mol.
Where can I buy 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide?
You can request a quote for 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromo-2,6-dimethylphenyl)-3-thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.