5-Propan-2-ylpyrazine-2-carbothioamide
TL;DR: 5-Propan-2-ylpyrazine-2-carbothioamide (CAS 111035-42-8) is a chemical compound with molecular formula C8H11N3S and molecular weight 181.06737 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-propan-2-ylpyrazine-2-carbothioamide
Also Known As: 5-propan-2-ylpyrazine-2-carbothioamide, 5-ISOPROPYLPYRAZINE-2-CARBOTHIOAMIDE, Pyrazinecarbothioamide, 5-(1-methylethyl)-, 2-Pyrazinecarbothioamide, 5-(1-methylethyl)-, 5-(Propan-2-yl)pyrazine-2-carboximidothioic acid
Technical Specifications
| Molecular Formula | C8H11N3S |
| Molecular Weight | 181.06737 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.06737 Da |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
| SMILES | CC(C)C1=CN=C(C=N1)C(=S)N |
| InChIKey | FTUGFESXYXQJFT-UHFFFAOYSA-N |
Chemical Property Profile of 5-Propan-2-ylpyrazine-2-carbothioamide
Property Insights of 5-Propan-2-ylpyrazine-2-carbothioamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Propan-2-ylpyrazine-2-carbothioamide. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Propan-2-ylpyrazine-2-carbothioamide. Following Lipinski's Rule of Five, 5-Propan-2-ylpyrazine-2-carbothioamide has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Propan-2-ylpyrazine-2-carbothioamide?
The CAS number of 5-Propan-2-ylpyrazine-2-carbothioamide is 111035-42-8.
What is the molecular formula of 5-Propan-2-ylpyrazine-2-carbothioamide?
The molecular formula of 5-Propan-2-ylpyrazine-2-carbothioamide is C8H11N3S.
What is the molecular weight of 5-Propan-2-ylpyrazine-2-carbothioamide?
The molecular weight of 5-Propan-2-ylpyrazine-2-carbothioamide is 181.06737 g/mol.
Where can I buy 5-Propan-2-ylpyrazine-2-carbothioamide?
You can request a quote for 5-Propan-2-ylpyrazine-2-carbothioamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Propan-2-ylpyrazine-2-carbothioamide?
Yes, CoreyChem provides custom synthesis services for 5-Propan-2-ylpyrazine-2-carbothioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.