4-Pyridinecarbothioamide, 2-(propylthio)-
TL;DR: 4-Pyridinecarbothioamide, 2-(propylthio)- (CAS 180791-05-3) is a chemical compound with molecular formula C9H12N2S2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylsulfanylpyridine-4-carbothioamide
Also Known As: 4-Pyridinecarbothioamide, 2-(propylthio)-, 2-propylsulfanylpyridine-4-carbothioamide, 2-(Propylthio)-4-pyridinecarbothioamide, 2-Propylthio-4-pyridinecarbothioamide, 2-(propylsulfanyl)pyridine-4-carbothioamide
| Molecular Formula | C9H12N2S2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.2179 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.04419 |
| Heavy Atoms | 13 |
| Complexity | 299.4211 |
Chemical Identifiers
| CAS Number | 180791-05-3 |
|---|---|
| SMILES | CCCSC1=NC=CC(=C1)C(=S)N |
Product Overview
4-Pyridinecarbothioamide, 2-(propylthio)- (CAS 180791-05-3), with molecular formula C9H12N2S2 and molecular weight 212.04 g/mol. IUPAC: 2-propylsulfanylpyridine-4-carbothioamide.
Chemical Property Profile of 4-Pyridinecarbothioamide, 2-(propylthio)-
Property Insights of 4-Pyridinecarbothioamide, 2-(propylthio)-
The XLogP value of 2.2179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarbothioamide, 2-(propylthio)-. With a topological polar surface area (TPSA) of 38.91 Ų, 4-Pyridinecarbothioamide, 2-(propylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridinecarbothioamide, 2-(propylthio)- 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 4-Pyridinecarbothioamide, 2-(propylthio)-?
The CAS number of 4-Pyridinecarbothioamide, 2-(propylthio)- is 180791-05-3.
What is the molecular formula of 4-Pyridinecarbothioamide, 2-(propylthio)-?
The molecular formula of 4-Pyridinecarbothioamide, 2-(propylthio)- is C9H12N2S2.
What is the molecular weight of 4-Pyridinecarbothioamide, 2-(propylthio)-?
The molecular weight of 4-Pyridinecarbothioamide, 2-(propylthio)- is 212.04 g/mol.
Where can I buy 4-Pyridinecarbothioamide, 2-(propylthio)-?
You can request a quote for 4-Pyridinecarbothioamide, 2-(propylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarbothioamide, 2-(propylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarbothioamide, 2-(propylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.