1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate
TL;DR: 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate (CAS 370077-91-1) is a chemical compound with molecular formula C8H15N3O2S2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-diamino-1,3-dioxopropan-2-yl) N,N-diethylcarbamodithioate
Also Known As: 1,3-diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate, (1,3-diamino-1,3-dioxopropan-2-yl) N,N-diethylcarbamodithioate
| Molecular Formula | C8H15N3O2S2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | -0.3145 |
| Topological Polar Surface Area | 89.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 249.06056 |
| Heavy Atoms | 15 |
| Complexity | 252.6124 |
Chemical Identifiers
| CAS Number | 370077-91-1 |
|---|---|
| SMILES | CCN(CC)C(=S)SC(C(=O)N)C(=O)N |
Product Overview
1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate (CAS 370077-91-1), with molecular formula C8H15N3O2S2 and molecular weight 249.06 g/mol. IUPAC: (1,3-diamino-1,3-dioxopropan-2-yl) N,N-diethylcarbamodithioate.
Chemical Property Profile of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate
Property Insights of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate
The XLogP value of -0.3145 indicates that 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 89.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate. Following Lipinski's Rule of Five, 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate has 2 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 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate?
The CAS number of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate is 370077-91-1.
What is the molecular formula of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate?
The molecular formula of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate is C8H15N3O2S2.
What is the molecular weight of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate?
The molecular weight of 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate is 249.06 g/mol.
Where can I buy 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate?
You can request a quote for 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diamino-1,3-dioxopropan-2-yl diethylcarbamodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.