2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide
TL;DR: 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide (CAS 72610-15-2) is a chemical compound with molecular formula C10H12IN3S and molecular weight 332.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-1H-indol-3-yl) carbamimidothioate;hydroiodide
Also Known As: 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide, [(2-METHYL-1H-INDOL-3-YL)SULFANYL]METHANIMIDAMIDE HYDROIODIDE, 2-methyl-1H-indol-3-yl carbamimidothioate hydroiodide, (2-methyl-1H-indol-3-yl) carbamimidothioate hydroiodide, F0907-2644
| Molecular Formula | C10H12IN3S |
|---|---|
| Molecular Weight | 332.98 g/mol |
| LogP | 3.07989 |
| Topological Polar Surface Area | 65.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.97968 |
| Heavy Atoms | 15 |
| Complexity | 492.3732 |
Chemical Identifiers
| CAS Number | 72610-15-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)SC(=N)N.I |
Product Overview
2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide (CAS 72610-15-2), with molecular formula C10H12IN3S and molecular weight 332.98 g/mol. IUPAC: (2-methyl-1H-indol-3-yl) carbamimidothioate;hydroiodide.
Chemical Property Profile of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide
Property Insights of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide
The XLogP value of 3.07989 indicates that 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide. Following Lipinski's Rule of Five, 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide has 3 hydrogen bond donor(s) and 2 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 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide?
The CAS number of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide is 72610-15-2.
What is the molecular formula of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide?
The molecular formula of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide is C10H12IN3S.
What is the molecular weight of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide?
The molecular weight of 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide is 332.98 g/mol.
Where can I buy 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide?
You can request a quote for 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-1H-indol-3-yl)-isothiourea hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.