1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea
TL;DR: 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea (CAS 18704-01-3) is a chemical compound with molecular formula C10H10ClN3S2 and molecular weight 271.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea
Also Known As: 1-(6-chloro-benzothiazol-2-yl)-3-ethyl-thiourea, 1-(6-chlorobenzothiazol-2-yl)-3-ethyl-thiourea
| Molecular Formula | C10H10ClN3S2 |
|---|---|
| Molecular Weight | 271.00 g/mol |
| LogP | 3.256 |
| Topological Polar Surface Area | 36.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.00046 |
| Heavy Atoms | 16 |
| Complexity | 523.75854 |
Chemical Identifiers
| CAS Number | 18704-01-3 |
|---|---|
| SMILES | CCNC(=S)NC1=NC2=C(S1)C=C(C=C2)Cl |
Product Overview
1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea (CAS 18704-01-3), with molecular formula C10H10ClN3S2 and molecular weight 271.00 g/mol. IUPAC: 1-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea.
Chemical Property Profile of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea
Property Insights of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea
The XLogP value of 3.256 indicates that 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.95 Ų, 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea has 2 hydrogen bond donor(s) and 3 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-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea?
The CAS number of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea is 18704-01-3.
What is the molecular formula of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea?
The molecular formula of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea is C10H10ClN3S2.
What is the molecular weight of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea?
The molecular weight of 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea is 271.00 g/mol.
Where can I buy 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea?
You can request a quote for 1-(6-Chloro-1,3-benzothiazol-2-yl)-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-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Chloro-1,3-benzothiazol-2-yl)-3-ethylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.