苄基硫氧嘧啶
TL;DR: 苄基硫氧嘧啶 (CAS 33086-66-7) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苄基硫氧嘧啶
6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: Benzylthiouracil, 6-Benzyl-2-thiouracil, Basdene, bentiuracil, 6-benzyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 33086-66-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=O)NC(=S)N2 |
| InChIKey | PNXBXCRWXNESOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苄基硫氧嘧啶 (CAS 33086-66-7), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 6-benzyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 苄基硫氧嘧啶
Property Insights of 苄基硫氧嘧啶
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 苄基硫氧嘧啶. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 苄基硫氧嘧啶. Following Lipinski's Rule of Five, 苄基硫氧嘧啶 has 2 hydrogen bond donor(s) and 2 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 苄基硫氧嘧啶?
The CAS number of 苄基硫氧嘧啶 is 33086-66-7.
What is the molecular formula of 苄基硫氧嘧啶?
The molecular formula of 苄基硫氧嘧啶 is C11H10N2OS.
What is the molecular weight of 苄基硫氧嘧啶?
The molecular weight of 苄基硫氧嘧啶 is 218.05 g/mol.
Where can I buy 苄基硫氧嘧啶?
You can request a quote for 苄基硫氧嘧啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苄基硫氧嘧啶?
Yes, KEHONG BIO provides custom synthesis services for 苄基硫氧嘧啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.