2-Pyridinecarbothioamide, 4-(heptylthio)-
TL;DR: 2-Pyridinecarbothioamide, 4-(heptylthio)- (CAS 186044-65-5) is a chemical compound with molecular formula C13H20N2S2 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-heptylsulfanylpyridine-2-carbothioamide
Also Known As: 2-Pyridinecarbothioamide, 4-(heptylthio)-, 4-heptylsulfanylpyridine-2-carbothioamide, 4-(Heptylthio)pyridine-2-carbothioamide, 4-Alkylthiopyridine-2-carbothioamide der., 4-(HEPTYLSULFANYL)PYRIDINE-2-CARBOTHIOAMIDE
| Molecular Formula | C13H20N2S2 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.7783 |
| Topological Polar Surface Area | 38.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.10678 |
| Heavy Atoms | 17 |
| Complexity | 353.02762 |
Chemical Identifiers
| CAS Number | 186044-65-5 |
|---|---|
| SMILES | CCCCCCCSC1=CC(=NC=C1)C(=S)N |
Product Overview
2-Pyridinecarbothioamide, 4-(heptylthio)- (CAS 186044-65-5), with molecular formula C13H20N2S2 and molecular weight 268.11 g/mol. IUPAC: 4-heptylsulfanylpyridine-2-carbothioamide.
Chemical Property Profile of 2-Pyridinecarbothioamide, 4-(heptylthio)-
Property Insights of 2-Pyridinecarbothioamide, 4-(heptylthio)-
The XLogP value of 3.7783 indicates that 2-Pyridinecarbothioamide, 4-(heptylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.91 Ų, 2-Pyridinecarbothioamide, 4-(heptylthio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyridinecarbothioamide, 4-(heptylthio)- 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-Pyridinecarbothioamide, 4-(heptylthio)-?
The CAS number of 2-Pyridinecarbothioamide, 4-(heptylthio)- is 186044-65-5.
What is the molecular formula of 2-Pyridinecarbothioamide, 4-(heptylthio)-?
The molecular formula of 2-Pyridinecarbothioamide, 4-(heptylthio)- is C13H20N2S2.
What is the molecular weight of 2-Pyridinecarbothioamide, 4-(heptylthio)-?
The molecular weight of 2-Pyridinecarbothioamide, 4-(heptylthio)- is 268.11 g/mol.
Where can I buy 2-Pyridinecarbothioamide, 4-(heptylthio)-?
You can request a quote for 2-Pyridinecarbothioamide, 4-(heptylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyridinecarbothioamide, 4-(heptylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyridinecarbothioamide, 4-(heptylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.