2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide
TL;DR: 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 76880-62-1) is a chemical compound with molecular formula C15H14IN3S and molecular weight 395.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-1H-indol-3-yl) carbamimidothioate;hydroiodide
Also Known As: 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide, (2-phenyl-1H-indol-3-yl) carbamimidothioate;hydroiodide, [(2-PHENYL-1H-INDOL-3-YL)SULFANYL]METHANIMIDAMIDE HYDROIODIDE, 2-phenyl-1H-indol-3-yl carbamimidothioate hydroiodide, (2-phenyl-1H-indol-3-yl) carbamimidothioate hydroiodide
| Molecular Formula | C15H14IN3S |
|---|---|
| Molecular Weight | 395.00 g/mol |
| LogP | 4.43847 |
| Topological Polar Surface Area | 65.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.99533 |
| Heavy Atoms | 20 |
| Complexity | 737.21826 |
Chemical Identifiers
| CAS Number | 76880-62-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SC(=N)N.I |
Product Overview
2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide (CAS 76880-62-1), with molecular formula C15H14IN3S and molecular weight 395.00 g/mol. IUPAC: (2-phenyl-1H-indol-3-yl) carbamimidothioate;hydroiodide.
Chemical Property Profile of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide
Property Insights of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide
The XLogP value of 4.43847 indicates that 2-Phenyl-1H-indol-3-yl imidothiocarbamate 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-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide. Following Lipinski's Rule of Five, 2-Phenyl-1H-indol-3-yl imidothiocarbamate 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-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
The CAS number of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide is 76880-62-1.
What is the molecular formula of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular formula of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide is C15H14IN3S.
What is the molecular weight of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
The molecular weight of 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide is 395.00 g/mol.
Where can I buy 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
You can request a quote for 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1H-indol-3-yl imidothiocarbamate hydroiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.