3-Allyl-6-methyl-2-thiouracil
TL;DR: 3-Allyl-6-methyl-2-thiouracil (CAS 60478-14-0) is a chemical compound with molecular formula C8H10N2OS and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
Also Known As: 3-Allyl-6-methyl-2-thiouracil, 3-N-allyl-6-methyl-2-thiouracil, J1.011.478K, 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one, 3-allyl-2-mercapto-6-methylpyrimidin-4(3H)-one
| Molecular Formula | C8H10N2OS |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.40031 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.05139 |
| Heavy Atoms | 12 |
| Complexity | 371.00427 |
Chemical Identifiers
| CAS Number | 60478-14-0 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=S)N1)CC=C |
Product Overview
3-Allyl-6-methyl-2-thiouracil (CAS 60478-14-0), with molecular formula C8H10N2OS and molecular weight 182.05 g/mol. IUPAC: 6-methyl-3-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one.
Chemical Property Profile of 3-Allyl-6-methyl-2-thiouracil
Property Insights of 3-Allyl-6-methyl-2-thiouracil
The XLogP value of 1.40031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Allyl-6-methyl-2-thiouracil. With a topological polar surface area (TPSA) of 37.79 Ų, 3-Allyl-6-methyl-2-thiouracil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Allyl-6-methyl-2-thiouracil has 1 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 3-Allyl-6-methyl-2-thiouracil?
The CAS number of 3-Allyl-6-methyl-2-thiouracil is 60478-14-0.
What is the molecular formula of 3-Allyl-6-methyl-2-thiouracil?
The molecular formula of 3-Allyl-6-methyl-2-thiouracil is C8H10N2OS.
What is the molecular weight of 3-Allyl-6-methyl-2-thiouracil?
The molecular weight of 3-Allyl-6-methyl-2-thiouracil is 182.05 g/mol.
Where can I buy 3-Allyl-6-methyl-2-thiouracil?
You can request a quote for 3-Allyl-6-methyl-2-thiouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Allyl-6-methyl-2-thiouracil?
Yes, KEHONG BIO provides custom synthesis services for 3-Allyl-6-methyl-2-thiouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.