2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate
TL;DR: 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate (CAS 5347-08-0) is a chemical compound with molecular formula C9H14N4O3S and molecular weight 258.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate
Also Known As: NCIStruc1_001166, NCIStruc2_000753, NCI60_003483, 2-(5-ethyl-2,4,6-trioxohexahydropyrimidin-5-yl)ethyl carbamimidothioate, 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate
| Molecular Formula | C9H14N4O3S |
|---|---|
| Molecular Weight | 258.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.07867 |
| Heavy Atoms | 17 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 5347-08-0 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N |
| InChIKey | YFJVJSRNDAPRCF-UHFFFAOYSA-N |
Product Overview
2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate (CAS 5347-08-0), with molecular formula C9H14N4O3S and molecular weight 258.08 g/mol. IUPAC: 2-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate.
Chemical Property Profile of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate
Property Insights of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate. The TPSA of 150.0 Ų indicates high polarity, suggesting 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate has 4 hydrogen bond donor(s) and 5 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-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate?
The CAS number of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate is 5347-08-0.
What is the molecular formula of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate?
The molecular formula of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate is C9H14N4O3S.
What is the molecular weight of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate?
The molecular weight of 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate is 258.08 g/mol.
Where can I buy 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate?
You can request a quote for 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-Ethyl-2,4,6-trioxohexahydro-5-pyrimidinyl)ethyl imidothiocarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.