4-(4-Bromophenyl)thiosemicarbazide
TL;DR: 4-(4-Bromophenyl)thiosemicarbazide (CAS 2646-31-3) is a chemical compound with molecular formula C7H8BrN3S and molecular weight 244.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-amino-3-(4-bromophenyl)thiourea
Also Known As: N-(4-Bromophenyl)hydrazinecarbothioamide, 4-(4-Bromophenyl)-3-thiosemicarbazide, 1-amino-3-(4-bromophenyl)thiourea, 4-(4-Bromophenyl)thiosemicarbazide, 3-amino-1-(4-bromophenyl)thiourea
| Molecular Formula | C7H8BrN3S |
|---|---|
| Molecular Weight | 244.96 g/mol |
| LogP | 1.6092 |
| Topological Polar Surface Area | 50.08 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.96223 |
| Heavy Atoms | 12 |
| Complexity | 272.4849 |
Chemical Identifiers
| CAS Number | 2646-31-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NN)Br |
Product Overview
4-(4-Bromophenyl)thiosemicarbazide (CAS 2646-31-3), with molecular formula C7H8BrN3S and molecular weight 244.96 g/mol. IUPAC: 1-amino-3-(4-bromophenyl)thiourea.
Chemical Property Profile of 4-(4-Bromophenyl)thiosemicarbazide
Property Insights of 4-(4-Bromophenyl)thiosemicarbazide
The XLogP value of 1.6092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Bromophenyl)thiosemicarbazide. With a topological polar surface area (TPSA) of 50.08 Ų, 4-(4-Bromophenyl)thiosemicarbazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)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-Bromophenyl)thiosemicarbazide?
The CAS number of 4-(4-Bromophenyl)thiosemicarbazide is 2646-31-3.
What is the molecular formula of 4-(4-Bromophenyl)thiosemicarbazide?
The molecular formula of 4-(4-Bromophenyl)thiosemicarbazide is C7H8BrN3S.
What is the molecular weight of 4-(4-Bromophenyl)thiosemicarbazide?
The molecular weight of 4-(4-Bromophenyl)thiosemicarbazide is 244.96 g/mol.
Where can I buy 4-(4-Bromophenyl)thiosemicarbazide?
You can request a quote for 4-(4-Bromophenyl)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-Bromophenyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.