(2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate
TL;DR: (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate (CAS 4902-38-9) is a chemical compound with molecular formula C6H7N3O2S2 and molecular weight 217.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate
Also Known As: (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate, (2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl carbamodithioate
| Molecular Formula | C6H7N3O2S2 |
|---|---|
| Molecular Weight | 217.00 g/mol |
| LogP | -0.46 |
| Topological Polar Surface Area | 91.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.99797 |
| Heavy Atoms | 13 |
| Complexity | 422.3778 |
Chemical Identifiers
| CAS Number | 4902-38-9 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)CSC(=S)N |
Product Overview
(2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate (CAS 4902-38-9), with molecular formula C6H7N3O2S2 and molecular weight 217.00 g/mol. IUPAC: (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate.
Chemical Property Profile of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate
Property Insights of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate
The XLogP value of -0.46 indicates that (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate. Following Lipinski's Rule of Five, (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate has 3 hydrogen bond donor(s) and 4 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 (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate?
The CAS number of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate is 4902-38-9.
What is the molecular formula of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate?
The molecular formula of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate is C6H7N3O2S2.
What is the molecular weight of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate?
The molecular weight of (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate is 217.00 g/mol.
Where can I buy (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate?
You can request a quote for (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-dioxo-1H-pyrimidin-5-yl)methyl carbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.