硫氰酸5-氯戊酯
TL;DR: 硫氰酸5-氯戊酯 (CAS 64048-00-6) is a chemical compound with molecular formula C6H10ClNS and molecular weight 163.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸5-氯戊酯
5-chloropentyl thiocyanate
Also Known As: 5-Chloropentyl thiocyanate, Thiocyanic acid, 5-chloropentyl ester, 5-chloro-pentylsulfanyl cyanate, Thiocyanic acid,5-chloropentyl ester, 4-03-00-00331 (Beilstein Handbook Reference)
| Molecular Formula | C6H10ClNS |
|---|---|
| Molecular Weight | 163.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 163.02225 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 64048-00-6 |
|---|---|
| SMILES | C(CCSC#N)CCCl |
| InChIKey | LDMOQCCSGVYFGA-UHFFFAOYSA-N |
Product Overview
硫氰酸5-氯戊酯 (CAS 64048-00-6), with molecular formula C6H10ClNS and molecular weight 163.02 g/mol. IUPAC: 5-chloropentyl thiocyanate.
Chemical Property Profile of 硫氰酸5-氯戊酯
Property Insights of 硫氰酸5-氯戊酯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸5-氯戊酯. With a topological polar surface area (TPSA) of 49.1 Ų, 硫氰酸5-氯戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸5-氯戊酯 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5-氯戊酯?
The CAS number of 硫氰酸5-氯戊酯 is 64048-00-6.
What is the molecular formula of 硫氰酸5-氯戊酯?
The molecular formula of 硫氰酸5-氯戊酯 is C6H10ClNS.
What is the molecular weight of 硫氰酸5-氯戊酯?
The molecular weight of 硫氰酸5-氯戊酯 is 163.02 g/mol.
Where can I buy 硫氰酸5-氯戊酯?
You can request a quote for 硫氰酸5-氯戊酯 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5-氯戊酯?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸5-氯戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.