4-氧代硫杂环戊烷-3-甲腈
TL;DR: 4-氧代硫杂环戊烷-3-甲腈 (CAS 16563-14-7) is a chemical compound with molecular formula C5H5NOS and molecular weight 127.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氧代硫杂环戊烷-3-甲腈
4-oxothiolane-3-carbonitrile
Also Known As: 4-Cyano-3-tetrahydrothiophenone, 4-oxothiolane-3-carbonitrile, 4-oxotetrahydrothiophene-3-carbonitrile, 1-Hexylsulfonylchloride, 4-Cyano-3-oxotetrahydrothiophene
| Molecular Formula | C5H5NOS |
|---|---|
| Molecular Weight | 127.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 127.009186 |
| Heavy Atoms | 8 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 16563-14-7 |
|---|---|
| SMILES | C1C(C(=O)CS1)C#N |
| InChIKey | OHPSBDAUCJNDHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氧代硫杂环戊烷-3-甲腈 (CAS 16563-14-7), with molecular formula C5H5NOS and molecular weight 127.01 g/mol. IUPAC: 4-oxothiolane-3-carbonitrile.
Chemical Property Profile of 4-氧代硫杂环戊烷-3-甲腈
Property Insights of 4-氧代硫杂环戊烷-3-甲腈
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氧代硫杂环戊烷-3-甲腈. The TPSA of 66.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氧代硫杂环戊烷-3-甲腈. Following Lipinski's Rule of Five, 4-氧代硫杂环戊烷-3-甲腈 has 0 hydrogen bond donor(s) and 3 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-氧代硫杂环戊烷-3-甲腈?
The CAS number of 4-氧代硫杂环戊烷-3-甲腈 is 16563-14-7.
What is the molecular formula of 4-氧代硫杂环戊烷-3-甲腈?
The molecular formula of 4-氧代硫杂环戊烷-3-甲腈 is C5H5NOS.
What is the molecular weight of 4-氧代硫杂环戊烷-3-甲腈?
The molecular weight of 4-氧代硫杂环戊烷-3-甲腈 is 127.01 g/mol.
Where can I buy 4-氧代硫杂环戊烷-3-甲腈?
You can request a quote for 4-氧代硫杂环戊烷-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氧代硫杂环戊烷-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4-氧代硫杂环戊烷-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.