2-亚氨基硫杂环戊烷
TL;DR: 2-亚氨基硫杂环戊烷 (CAS 4781-83-3) is a chemical compound with molecular formula C4H7NS and molecular weight 101.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-亚氨基硫杂环戊烷
thiolan-2-imine
Also Known As: 2-Iminothiolane, thiolan-2-imine, 2-imino-thiolane, Traut's reagent, 2-Thiolanimine
| Molecular Formula | C4H7NS |
|---|---|
| Molecular Weight | 101.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.02992 |
| Heavy Atoms | 6 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 4781-83-3 |
|---|---|
| SMILES | C1CC(=N)SC1 |
| InChIKey | CNHYKKNIIGEXAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-亚氨基硫杂环戊烷 (CAS 4781-83-3), with molecular formula C4H7NS and molecular weight 101.03 g/mol. IUPAC: thiolan-2-imine.
Chemical Property Profile of 2-亚氨基硫杂环戊烷
Property Insights of 2-亚氨基硫杂环戊烷
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-亚氨基硫杂环戊烷. With a topological polar surface area (TPSA) of 49.2 Ų, 2-亚氨基硫杂环戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-亚氨基硫杂环戊烷 has 1 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-亚氨基硫杂环戊烷?
The CAS number of 2-亚氨基硫杂环戊烷 is 4781-83-3.
What is the molecular formula of 2-亚氨基硫杂环戊烷?
The molecular formula of 2-亚氨基硫杂环戊烷 is C4H7NS.
What is the molecular weight of 2-亚氨基硫杂环戊烷?
The molecular weight of 2-亚氨基硫杂环戊烷 is 101.03 g/mol.
Where can I buy 2-亚氨基硫杂环戊烷?
You can request a quote for 2-亚氨基硫杂环戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-亚氨基硫杂环戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2-亚氨基硫杂环戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.