(n-Butylthio)acetonitrile
TL;DR: (n-Butylthio)acetonitrile (CAS 71037-08-6) is a chemical compound with molecular formula C6H11NS and molecular weight 129.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butylsulfanylacetonitrile
Also Known As: n-(Butylthio)acetonitrile, (n-Butylthio)acetonitrile, 2-butylsulfanylacetonitrile, (Butylthio)acetonitrile, 2-(butylthio)acetonitrile
| Molecular Formula | C6H11NS |
|---|---|
| Molecular Weight | 129.06 g/mol |
| LogP | 2.04328 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 129.06122 |
| Heavy Atoms | 8 |
| Complexity | 75.087944 |
Chemical Identifiers
| CAS Number | 71037-08-6 |
|---|---|
| SMILES | CCCCSCC#N |
Product Overview
(n-Butylthio)acetonitrile (CAS 71037-08-6), with molecular formula C6H11NS and molecular weight 129.06 g/mol. IUPAC: 2-butylsulfanylacetonitrile.
Chemical Property Profile of (n-Butylthio)acetonitrile
Property Insights of (n-Butylthio)acetonitrile
The XLogP value of 2.04328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (n-Butylthio)acetonitrile. With a topological polar surface area (TPSA) of 23.79 Ų, (n-Butylthio)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (n-Butylthio)acetonitrile 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 (n-Butylthio)acetonitrile?
The CAS number of (n-Butylthio)acetonitrile is 71037-08-6.
What is the molecular formula of (n-Butylthio)acetonitrile?
The molecular formula of (n-Butylthio)acetonitrile is C6H11NS.
What is the molecular weight of (n-Butylthio)acetonitrile?
The molecular weight of (n-Butylthio)acetonitrile is 129.06 g/mol.
Where can I buy (n-Butylthio)acetonitrile?
You can request a quote for (n-Butylthio)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (n-Butylthio)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (n-Butylthio)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.