Uracil, 1,3-dimethyl-5-(allylthiourea)-
TL;DR: Uracil, 1,3-dimethyl-5-(allylthiourea)- (CAS 31776-72-4) is a chemical compound with molecular formula C10H14N4O2S and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-prop-2-enylthiourea
Also Known As: Uracil, 1,3-dimethyl-5-(allylthiourea)-, Thiourea, N-2-propenyl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-, 1-Allyl-3-(2,4-diketo-1,3-dimethyl-1,2,3,4-tetrahydropyrimidin-6-yl)-2-thiourea, N-2-Propenyl-N'-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)thiourea, Urea, 1-allyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-2-thio-
| Molecular Formula | C10H14N4O2S |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | -0.4436 |
| Topological Polar Surface Area | 68.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.08374 |
| Heavy Atoms | 17 |
| Complexity | 558.40485 |
Chemical Identifiers
| CAS Number | 31776-72-4 |
|---|---|
| SMILES | CN1C(=CC(=O)N(C1=O)C)NC(=S)NCC=C |
Product Overview
Uracil, 1,3-dimethyl-5-(allylthiourea)- (CAS 31776-72-4), with molecular formula C10H14N4O2S and molecular weight 254.08 g/mol. IUPAC: 1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-prop-2-enylthiourea.
Chemical Property Profile of Uracil, 1,3-dimethyl-5-(allylthiourea)-
Property Insights of Uracil, 1,3-dimethyl-5-(allylthiourea)-
The XLogP value of -0.4436 indicates that Uracil, 1,3-dimethyl-5-(allylthiourea)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Uracil, 1,3-dimethyl-5-(allylthiourea)-. Following Lipinski's Rule of Five, Uracil, 1,3-dimethyl-5-(allylthiourea)- has 2 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 Uracil, 1,3-dimethyl-5-(allylthiourea)-?
The CAS number of Uracil, 1,3-dimethyl-5-(allylthiourea)- is 31776-72-4.
What is the molecular formula of Uracil, 1,3-dimethyl-5-(allylthiourea)-?
The molecular formula of Uracil, 1,3-dimethyl-5-(allylthiourea)- is C10H14N4O2S.
What is the molecular weight of Uracil, 1,3-dimethyl-5-(allylthiourea)-?
The molecular weight of Uracil, 1,3-dimethyl-5-(allylthiourea)- is 254.08 g/mol.
Where can I buy Uracil, 1,3-dimethyl-5-(allylthiourea)-?
You can request a quote for Uracil, 1,3-dimethyl-5-(allylthiourea)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Uracil, 1,3-dimethyl-5-(allylthiourea)-?
Yes, KEHONG BIO provides custom synthesis services for Uracil, 1,3-dimethyl-5-(allylthiourea)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.