1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile
TL;DR: 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile (CAS 6950-50-1) is a chemical compound with molecular formula C10H13N3OS and molecular weight 223.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile
Also Known As: NCIOpen2_002905, 1-butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile, 1-Butyl-6-methyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
| Molecular Formula | C10H13N3OS |
|---|---|
| Molecular Weight | 223.08 g/mol |
| LogP | 1.88609 |
| Topological Polar Surface Area | 61.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.07793 |
| Heavy Atoms | 15 |
| Complexity | 506.8695 |
Chemical Identifiers
| CAS Number | 6950-50-1 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=S)C#N)C |
Product Overview
1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile (CAS 6950-50-1), with molecular formula C10H13N3OS and molecular weight 223.08 g/mol. IUPAC: 1-butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile.
Chemical Property Profile of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile
Property Insights of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile
The XLogP value of 1.88609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile. The TPSA of 61.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile. Following Lipinski's Rule of Five, 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile 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 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile?
The CAS number of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile is 6950-50-1.
What is the molecular formula of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile?
The molecular formula of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile is C10H13N3OS.
What is the molecular weight of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile?
The molecular weight of 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile is 223.08 g/mol.
Where can I buy 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile?
You can request a quote for 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-6-methyl-4-oxo-2-sulfanylidenepyrimidine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.