N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea
TL;DR: N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea (CAS 23405-41-6) is a chemical compound with molecular formula C9H7N3OS3 and molecular weight 268.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(5-sulfanylidene-1,2,4-dithiazol-3-yl)urea
Also Known As: 1-phenyl-3-(5-sulfanylidene-1,2,4-dithiazol-3-yl)urea, N-Phenyl-N'-(3-thioxo-3H-1,2,4-dithiazol-5-yl)urea, N-Phenyl-Na(2)-(3-thioxo-3H-1,2,4-dithiazol-5-yl)urea, N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea
| Molecular Formula | C9H7N3OS3 |
|---|---|
| Molecular Weight | 268.98 g/mol |
| LogP | 3.57809 |
| Topological Polar Surface Area | 54.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.97513 |
| Heavy Atoms | 16 |
| Complexity | 534.1872 |
Chemical Identifiers
| CAS Number | 23405-41-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC(=O)NC2=NC(=S)SS2 |
Product Overview
N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea (CAS 23405-41-6), with molecular formula C9H7N3OS3 and molecular weight 268.98 g/mol. IUPAC: 1-phenyl-3-(5-sulfanylidene-1,2,4-dithiazol-3-yl)urea.
Chemical Property Profile of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea
Property Insights of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea
The XLogP value of 3.57809 indicates that N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.02 Ų, N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea has 2 hydrogen bond donor(s) and 5 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-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea?
The CAS number of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea is 23405-41-6.
What is the molecular formula of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea?
The molecular formula of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea is C9H7N3OS3.
What is the molecular weight of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea?
The molecular weight of N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea is 268.98 g/mol.
Where can I buy N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea?
You can request a quote for N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for N-Phenyl-N'-(3-sulfanylidene-3H-1,2,4-dithiazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.