1,1-Bis(2-chloroethyl)-3-ethylthiourea
TL;DR: 1,1-Bis(2-chloroethyl)-3-ethylthiourea (CAS 89796-85-0) is a chemical compound with molecular formula C7H14Cl2N2S and molecular weight 228.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-bis(2-chloroethyl)-3-ethylthiourea
Also Known As: 1,1-bis(2-chloroethyl)-3-ethylthiourea, N,N-Bis(2-chloroethyl)-N'-ethylthiourea
| Molecular Formula | C7H14Cl2N2S |
|---|---|
| Molecular Weight | 228.03 g/mol |
| LogP | 1.6604 |
| Topological Polar Surface Area | 15.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.02548 |
| Heavy Atoms | 12 |
| Complexity | 126.57478 |
Chemical Identifiers
| CAS Number | 89796-85-0 |
|---|---|
| SMILES | CCNC(=S)N(CCCl)CCCl |
Product Overview
1,1-Bis(2-chloroethyl)-3-ethylthiourea (CAS 89796-85-0), with molecular formula C7H14Cl2N2S and molecular weight 228.03 g/mol. IUPAC: 1,1-bis(2-chloroethyl)-3-ethylthiourea.
Chemical Property Profile of 1,1-Bis(2-chloroethyl)-3-ethylthiourea
Property Insights of 1,1-Bis(2-chloroethyl)-3-ethylthiourea
The XLogP value of 1.6604 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Bis(2-chloroethyl)-3-ethylthiourea. With a topological polar surface area (TPSA) of 15.27 Ų, 1,1-Bis(2-chloroethyl)-3-ethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Bis(2-chloroethyl)-3-ethylthiourea has 1 hydrogen bond donor(s) and 1 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 1,1-Bis(2-chloroethyl)-3-ethylthiourea?
The CAS number of 1,1-Bis(2-chloroethyl)-3-ethylthiourea is 89796-85-0.
What is the molecular formula of 1,1-Bis(2-chloroethyl)-3-ethylthiourea?
The molecular formula of 1,1-Bis(2-chloroethyl)-3-ethylthiourea is C7H14Cl2N2S.
What is the molecular weight of 1,1-Bis(2-chloroethyl)-3-ethylthiourea?
The molecular weight of 1,1-Bis(2-chloroethyl)-3-ethylthiourea is 228.03 g/mol.
Where can I buy 1,1-Bis(2-chloroethyl)-3-ethylthiourea?
You can request a quote for 1,1-Bis(2-chloroethyl)-3-ethylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Bis(2-chloroethyl)-3-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Bis(2-chloroethyl)-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.