(2-Bromophenyl)methyl carbamimidothioate
TL;DR: (2-Bromophenyl)methyl carbamimidothioate (CAS 131887-70-2) is a chemical compound with molecular formula C8H9BrN2S and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-bromophenyl)methyl carbamimidothioate
Also Known As: 2-bromobenzyl carbamimidothioate, (2-bromophenyl)methyl carbamimidothioate, Carbamimidothioic acid, (2-bromophenyl)methyl ester
| Molecular Formula | C8H9BrN2S |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 2.57577 |
| Topological Polar Surface Area | 49.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.96698 |
| Heavy Atoms | 12 |
| Complexity | 288.14127 |
Chemical Identifiers
| CAS Number | 131887-70-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC(=N)N)Br |
Product Overview
(2-Bromophenyl)methyl carbamimidothioate (CAS 131887-70-2), with molecular formula C8H9BrN2S and molecular weight 243.97 g/mol. IUPAC: (2-bromophenyl)methyl carbamimidothioate.
Chemical Property Profile of (2-Bromophenyl)methyl carbamimidothioate
Property Insights of (2-Bromophenyl)methyl carbamimidothioate
The XLogP value of 2.57577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Bromophenyl)methyl carbamimidothioate. With a topological polar surface area (TPSA) of 49.87 Ų, (2-Bromophenyl)methyl carbamimidothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Bromophenyl)methyl carbamimidothioate has 2 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 (2-Bromophenyl)methyl carbamimidothioate?
The CAS number of (2-Bromophenyl)methyl carbamimidothioate is 131887-70-2.
What is the molecular formula of (2-Bromophenyl)methyl carbamimidothioate?
The molecular formula of (2-Bromophenyl)methyl carbamimidothioate is C8H9BrN2S.
What is the molecular weight of (2-Bromophenyl)methyl carbamimidothioate?
The molecular weight of (2-Bromophenyl)methyl carbamimidothioate is 243.97 g/mol.
Where can I buy (2-Bromophenyl)methyl carbamimidothioate?
You can request a quote for (2-Bromophenyl)methyl carbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Bromophenyl)methyl carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (2-Bromophenyl)methyl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.