1,3-Diethyl-2-methylthioisourea
TL;DR: 1,3-Diethyl-2-methylthioisourea (CAS 34840-26-1) is a chemical compound with molecular formula C6H14N2S and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N,N'-diethylcarbamimidothioate
Also Known As: N,N'-diethyl-S-methyl-isothiourea, 1,3-diethyl-2-methylthioisourea, methyl N,N'-diethylcarbamimidothioate, N,N'-diethyl(methylsulfanyl)methanimidamide
| Molecular Formula | C6H14N2S |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 1.3348 |
| Topological Polar Surface Area | 24.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.08777 |
| Heavy Atoms | 9 |
| Complexity | 91.05865 |
Chemical Identifiers
| CAS Number | 34840-26-1 |
|---|---|
| SMILES | CCNC(=NCC)SC |
Product Overview
1,3-Diethyl-2-methylthioisourea (CAS 34840-26-1), with molecular formula C6H14N2S and molecular weight 146.09 g/mol. IUPAC: methyl N,N'-diethylcarbamimidothioate.
Chemical Property Profile of 1,3-Diethyl-2-methylthioisourea
Property Insights of 1,3-Diethyl-2-methylthioisourea
The XLogP value of 1.3348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl-2-methylthioisourea. With a topological polar surface area (TPSA) of 24.39 Ų, 1,3-Diethyl-2-methylthioisourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl-2-methylthioisourea 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 1,3-Diethyl-2-methylthioisourea?
The CAS number of 1,3-Diethyl-2-methylthioisourea is 34840-26-1.
What is the molecular formula of 1,3-Diethyl-2-methylthioisourea?
The molecular formula of 1,3-Diethyl-2-methylthioisourea is C6H14N2S.
What is the molecular weight of 1,3-Diethyl-2-methylthioisourea?
The molecular weight of 1,3-Diethyl-2-methylthioisourea is 146.09 g/mol.
Where can I buy 1,3-Diethyl-2-methylthioisourea?
You can request a quote for 1,3-Diethyl-2-methylthioisourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl-2-methylthioisourea?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl-2-methylthioisourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.