1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea
TL;DR: 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea (CAS 852139-40-3) is a chemical compound with molecular formula C13H17N3S and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea
Also Known As: 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea, 3-ETHYL-1-[(2-METHYL-1H-INDOL-5-YL)METHYL]THIOUREA, 1-ethyl-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea, F0651-0416
| Molecular Formula | C13H17N3S |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 2.46032 |
| Topological Polar Surface Area | 39.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.11432 |
| Heavy Atoms | 17 |
| Complexity | 530.44415 |
Chemical Identifiers
| CAS Number | 852139-40-3 |
|---|---|
| SMILES | CCNC(=S)NCC1=CC2=C(C=C1)NC(=C2)C |
Product Overview
1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea (CAS 852139-40-3), with molecular formula C13H17N3S and molecular weight 247.11 g/mol. IUPAC: 1-ethyl-3-[(2-methyl-1H-indol-5-yl)methyl]thiourea.
Chemical Property Profile of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea
Property Insights of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea
The XLogP value of 2.46032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea. With a topological polar surface area (TPSA) of 39.85 Ų, 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea has 3 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-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea?
The CAS number of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea is 852139-40-3.
What is the molecular formula of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea?
The molecular formula of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea is C13H17N3S.
What is the molecular weight of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea?
The molecular weight of 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea is 247.11 g/mol.
Where can I buy 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea?
You can request a quote for 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-3-((2-methyl-1H-indol-5-yl)methyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.