N-(1H-indol-4-yl)thiourea
TL;DR: N-(1H-indol-4-yl)thiourea (CAS 861208-81-3) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-indol-4-ylthiourea
Also Known As: (1H-indol-4-yl)thiourea, N-(1H-indol-4-yl)thiourea, 1H-indol-4-ylthiourea, 1-(1H-Indol-4-yl)thiourea
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.8234 |
| Topological Polar Surface Area | 53.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 446.81146 |
Chemical Identifiers
| CAS Number | 861208-81-3 |
|---|---|
| SMILES | C1=CC2=C(C=CN2)C(=C1)NC(=S)N |
Product Overview
N-(1H-indol-4-yl)thiourea (CAS 861208-81-3), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 1H-indol-4-ylthiourea.
Chemical Property Profile of N-(1H-indol-4-yl)thiourea
Property Insights of N-(1H-indol-4-yl)thiourea
The XLogP value of 1.8234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1H-indol-4-yl)thiourea. With a topological polar surface area (TPSA) of 53.84 Ų, N-(1H-indol-4-yl)thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1H-indol-4-yl)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 N-(1H-indol-4-yl)thiourea?
The CAS number of N-(1H-indol-4-yl)thiourea is 861208-81-3.
What is the molecular formula of N-(1H-indol-4-yl)thiourea?
The molecular formula of N-(1H-indol-4-yl)thiourea is C9H9N3S.
What is the molecular weight of N-(1H-indol-4-yl)thiourea?
The molecular weight of N-(1H-indol-4-yl)thiourea is 191.05 g/mol.
Where can I buy N-(1H-indol-4-yl)thiourea?
You can request a quote for N-(1H-indol-4-yl)thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1H-indol-4-yl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for N-(1H-indol-4-yl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.