2-Pyrazinecarbothioamide, 3-propyl-
TL;DR: 2-Pyrazinecarbothioamide, 3-propyl- (CAS 104893-65-4) is a chemical compound with molecular formula C8H11N3S and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-propylpyrazine-2-carbothioamide
Also Known As: 3-propylpyrazine-2-carbothioamide, 2-Pyrazinecarbothioamide, 3-propyl-, 3-Propyl-2-pyrazinecarboxylic thioamide
| Molecular Formula | C8H11N3S |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.0633 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 181.06737 |
| Heavy Atoms | 12 |
| Complexity | 285.38638 |
Chemical Identifiers
| CAS Number | 104893-65-4 |
|---|---|
| SMILES | CCCC1=NC=CN=C1C(=S)N |
Product Overview
2-Pyrazinecarbothioamide, 3-propyl- (CAS 104893-65-4), with molecular formula C8H11N3S and molecular weight 181.07 g/mol. IUPAC: 3-propylpyrazine-2-carbothioamide.
Chemical Property Profile of 2-Pyrazinecarbothioamide, 3-propyl-
Property Insights of 2-Pyrazinecarbothioamide, 3-propyl-
The XLogP value of 1.0633 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrazinecarbothioamide, 3-propyl-. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Pyrazinecarbothioamide, 3-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrazinecarbothioamide, 3-propyl- 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
Frequently Asked Questions
What is the CAS number of 2-Pyrazinecarbothioamide, 3-propyl-?
The CAS number of 2-Pyrazinecarbothioamide, 3-propyl- is 104893-65-4.
What is the molecular formula of 2-Pyrazinecarbothioamide, 3-propyl-?
The molecular formula of 2-Pyrazinecarbothioamide, 3-propyl- is C8H11N3S.
What is the molecular weight of 2-Pyrazinecarbothioamide, 3-propyl-?
The molecular weight of 2-Pyrazinecarbothioamide, 3-propyl- is 181.07 g/mol.
Where can I buy 2-Pyrazinecarbothioamide, 3-propyl-?
You can request a quote for 2-Pyrazinecarbothioamide, 3-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazinecarbothioamide, 3-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazinecarbothioamide, 3-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.