Methylthioacetonitrile
TL;DR: Methylthioacetonitrile (CAS 35120-10-6) is a chemical compound with molecular formula C3H5NS and molecular weight 87.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanylacetonitrile
Also Known As: (Methylthio)acetonitrile, Methylthioacetonitrile, 2-(methylsulfanyl)acetonitrile, (Methylthio)-acetonitrile, 2-methylsulfanylacetonitrile
| Molecular Formula | C3H5NS |
|---|---|
| Molecular Weight | 87.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 87.01427 |
| Heavy Atoms | 5 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 35120-10-6 |
|---|---|
| SMILES | CSCC#N |
| InChIKey | ZRIGDBVSVFSVLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylthioacetonitrile (CAS 35120-10-6), with molecular formula C3H5NS and molecular weight 87.01 g/mol. IUPAC: 2-methylsulfanylacetonitrile.
Chemical Property Profile of Methylthioacetonitrile
Property Insights of Methylthioacetonitrile
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylthioacetonitrile. With a topological polar surface area (TPSA) of 49.1 Ų, Methylthioacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methylthioacetonitrile 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 Methylthioacetonitrile?
The CAS number of Methylthioacetonitrile is 35120-10-6.
What is the molecular formula of Methylthioacetonitrile?
The molecular formula of Methylthioacetonitrile is C3H5NS.
What is the molecular weight of Methylthioacetonitrile?
The molecular weight of Methylthioacetonitrile is 87.01 g/mol.
Where can I buy Methylthioacetonitrile?
You can request a quote for Methylthioacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylthioacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Methylthioacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.