二(氰甲基)硫醚
TL;DR: 二(氰甲基)硫醚 (CAS 58480-01-6) is a chemical compound with molecular formula C4H4N2S and molecular weight 112.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二(氰甲基)硫醚
2-(cyanomethylsulfanyl)acetonitrile
Also Known As: Thiodiacetonitrile, 2-[(cyanomethyl)thio]acetonitrile, 2-(cyanomethylsulfanyl)acetonitrile, Acetonitrile,2,2'-thiobis-, 2,2'-Sulfanediyldiacetonitrile
| Molecular Formula | C4H4N2S |
|---|---|
| Molecular Weight | 112.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.00952 |
| Heavy Atoms | 7 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 58480-01-6 |
|---|---|
| SMILES | C(C#N)SCC#N |
| InChIKey | YFUCPLPDBPZLGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二(氰甲基)硫醚 (CAS 58480-01-6), with molecular formula C4H4N2S and molecular weight 112.01 g/mol. IUPAC: 2-(cyanomethylsulfanyl)acetonitrile.
Chemical Property Profile of 二(氰甲基)硫醚
Property Insights of 二(氰甲基)硫醚
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二(氰甲基)硫醚. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 二(氰甲基)硫醚. Following Lipinski's Rule of Five, 二(氰甲基)硫醚 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 二(氰甲基)硫醚?
The CAS number of 二(氰甲基)硫醚 is 58480-01-6.
What is the molecular formula of 二(氰甲基)硫醚?
The molecular formula of 二(氰甲基)硫醚 is C4H4N2S.
What is the molecular weight of 二(氰甲基)硫醚?
The molecular weight of 二(氰甲基)硫醚 is 112.01 g/mol.
Where can I buy 二(氰甲基)硫醚?
You can request a quote for 二(氰甲基)硫醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二(氰甲基)硫醚?
Yes, KEHONG BIO provides custom synthesis services for 二(氰甲基)硫醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.