Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-
TL;DR: Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- (CAS 10022-75-0) is a chemical compound with molecular formula C17H16N2S and molecular weight 280.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(1H-indol-3-yl)ethyl]benzenecarbothioamide
Also Known As: Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-, N-(2-(1H-Indol-3-yl)ethyl)benzenecarbothioamide, 5-22-10-00081 (Beilstein Handbook Reference), N-[2-(1H-indol-3-yl)ethyl]benzenecarbothioamide, BRN 0410578
| Molecular Formula | C17H16N2S |
|---|---|
| Molecular Weight | 280.10 g/mol |
| LogP | 3.6757 |
| Topological Polar Surface Area | 27.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.10342 |
| Heavy Atoms | 20 |
| Complexity | 715.94794 |
Chemical Identifiers
| CAS Number | 10022-75-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=S)NCCC2=CNC3=CC=CC=C32 |
Product Overview
Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- (CAS 10022-75-0), with molecular formula C17H16N2S and molecular weight 280.10 g/mol. IUPAC: N-[2-(1H-indol-3-yl)ethyl]benzenecarbothioamide.
Chemical Property Profile of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-
Property Insights of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-
The XLogP value of 3.6757 indicates that Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.82 Ų, Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- has 2 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 Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-?
The CAS number of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- is 10022-75-0.
What is the molecular formula of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-?
The molecular formula of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- is C17H16N2S.
What is the molecular weight of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-?
The molecular weight of Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- is 280.10 g/mol.
Where can I buy Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-?
You can request a quote for Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenecarbothioamide, N-(2-(1H-indol-3-yl)ethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.