硫氰酸 2-溴烯丙酯
TL;DR: 硫氰酸 2-溴烯丙酯 (CAS 102367-26-0) is a chemical compound with molecular formula C4H4BrNS and molecular weight 176.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸 2-溴烯丙酯
2-bromoprop-2-enyl thiocyanate
Also Known As: 2-Bromoallyl thiocyanate, Thiocyanic acid, 2-bromoallyl ester, 2-bromoprop-2-enyl thiocyanate, Thiocyanic acid, 2-bromo-2-propenyl ester, 2-bromoprop-2-en-1-yl thiocyanate
| Molecular Formula | C4H4BrNS |
|---|---|
| Molecular Weight | 176.92 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.92477 |
| Heavy Atoms | 7 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 102367-26-0 |
|---|---|
| SMILES | C=C(CSC#N)Br |
| InChIKey | OJJNOLPRJFBIHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫氰酸 2-溴烯丙酯 (CAS 102367-26-0), with molecular formula C4H4BrNS and molecular weight 176.92 g/mol. IUPAC: 2-bromoprop-2-enyl thiocyanate.
Chemical Property Profile of 硫氰酸 2-溴烯丙酯
Property Insights of 硫氰酸 2-溴烯丙酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸 2-溴烯丙酯. With a topological polar surface area (TPSA) of 49.1 Ų, 硫氰酸 2-溴烯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸 2-溴烯丙酯 has 0 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 硫氰酸 2-溴烯丙酯?
The CAS number of 硫氰酸 2-溴烯丙酯 is 102367-26-0.
What is the molecular formula of 硫氰酸 2-溴烯丙酯?
The molecular formula of 硫氰酸 2-溴烯丙酯 is C4H4BrNS.
What is the molecular weight of 硫氰酸 2-溴烯丙酯?
The molecular weight of 硫氰酸 2-溴烯丙酯 is 176.92 g/mol.
Where can I buy 硫氰酸 2-溴烯丙酯?
You can request a quote for 硫氰酸 2-溴烯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸 2-溴烯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸 2-溴烯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.