2-Phenyl-1H-indol-3-yl carbamimidothioate
TL;DR: 2-Phenyl-1H-indol-3-yl carbamimidothioate (CAS 398472-22-5) is a chemical compound with molecular formula C15H13N3S and molecular weight 267.08 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
Also Known As: starbld0028012, 2-Phenyl-1H-indol-3-yl carbamimidothioate, [(2-phenyl-1H-indol-3-yl)sulfanyl]methanimidamide, 2-phenyl-3-indolylsulfanecarboxamidine, 2-phenyl-1H-indol-3-yl imidothiocarbamate
| Molecular Formula | C15H13N3S |
|---|---|
| Molecular Weight | 267.08 g/mol |
| LogP | 3.82047 |
| Topological Polar Surface Area | 65.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.083 |
| Heavy Atoms | 19 |
| Complexity | 731.4903 |
Chemical Identifiers
| CAS Number | 398472-22-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)SC(=N)N |
Product Overview
2-Phenyl-1H-indol-3-yl carbamimidothioate (CAS 398472-22-5), with molecular formula C15H13N3S and molecular weight 267.08 g/mol. IUPAC: (2-phenyl-1H-indol-3-yl) carbamimidothioate.
Chemical Property Profile of 2-Phenyl-1H-indol-3-yl carbamimidothioate
Property Insights of 2-Phenyl-1H-indol-3-yl carbamimidothioate
The XLogP value of 3.82047 indicates that 2-Phenyl-1H-indol-3-yl carbamimidothioate 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 carbamimidothioate. Following Lipinski's Rule of Five, 2-Phenyl-1H-indol-3-yl carbamimidothioate 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 carbamimidothioate?
The CAS number of 2-Phenyl-1H-indol-3-yl carbamimidothioate is 398472-22-5.
What is the molecular formula of 2-Phenyl-1H-indol-3-yl carbamimidothioate?
The molecular formula of 2-Phenyl-1H-indol-3-yl carbamimidothioate is C15H13N3S.
What is the molecular weight of 2-Phenyl-1H-indol-3-yl carbamimidothioate?
The molecular weight of 2-Phenyl-1H-indol-3-yl carbamimidothioate is 267.08 g/mol.
Where can I buy 2-Phenyl-1H-indol-3-yl carbamimidothioate?
You can request a quote for 2-Phenyl-1H-indol-3-yl carbamimidothioate 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 carbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1H-indol-3-yl carbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.