6-(甲硫基)己腈
TL;DR: 6-(甲硫基)己腈 (CAS 72931-29-4) is a chemical compound with molecular formula C7H13NS and molecular weight 143.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(甲硫基)己腈
6-methylsulfanylhexanenitrile
Also Known As: 6-(methylsulfanyl)hexanenitrile, Papyriogenin C, Hexanenitrile, 6-(methylthio)-, 6-methylsulfanylhexanenitrile, 6-Methylthiohexanenitrile
| Molecular Formula | C7H13NS |
|---|---|
| Molecular Weight | 143.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 143.07687 |
| Heavy Atoms | 9 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 72931-29-4 |
|---|---|
| SMILES | CSCCCCCC#N |
| InChIKey | ULSCBSNSXYDREI-UHFFFAOYSA-N |
Product Overview
6-(甲硫基)己腈 (CAS 72931-29-4), with molecular formula C7H13NS and molecular weight 143.08 g/mol. IUPAC: 6-methylsulfanylhexanenitrile.
Chemical Property Profile of 6-(甲硫基)己腈
Property Insights of 6-(甲硫基)己腈
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(甲硫基)己腈. With a topological polar surface area (TPSA) of 49.1 Ų, 6-(甲硫基)己腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(甲硫基)己腈 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 6-(甲硫基)己腈?
The CAS number of 6-(甲硫基)己腈 is 72931-29-4.
What is the molecular formula of 6-(甲硫基)己腈?
The molecular formula of 6-(甲硫基)己腈 is C7H13NS.
What is the molecular weight of 6-(甲硫基)己腈?
The molecular weight of 6-(甲硫基)己腈 is 143.08 g/mol.
Where can I buy 6-(甲硫基)己腈?
You can request a quote for 6-(甲硫基)己腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(甲硫基)己腈?
Yes, KEHONG BIO provides custom synthesis services for 6-(甲硫基)己腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.