1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea
TL;DR: 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea (CAS 710311-95-8) is a chemical compound with molecular formula C10H10N4OS2 and molecular weight 266.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
Also Known As: 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea, 1-(4-methylphenyl)-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)urea, 1-(4-methylphenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea, 1-(4-methylphenyl)-3-(5-sulfanylidene-4H-1,3,4-thiadiazol-2-yl)urea, N-(4-methylphenyl)[(5-sulfanyl(1,3,4-thiadiazol-2-yl))amino]carboxamide
| Molecular Formula | C10H10N4OS2 |
|---|---|
| Molecular Weight | 266.03 g/mol |
| LogP | 3.15311 |
| Topological Polar Surface Area | 69.81 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.0296 |
| Heavy Atoms | 17 |
| Complexity | 572.4919 |
Chemical Identifiers
| CAS Number | 710311-95-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)NC2=NNC(=S)S2 |
Product Overview
1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea (CAS 710311-95-8), with molecular formula C10H10N4OS2 and molecular weight 266.03 g/mol. IUPAC: 1-(4-methylphenyl)-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea.
Chemical Property Profile of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea
Property Insights of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea
The XLogP value of 3.15311 indicates that 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea. Following Lipinski's Rule of Five, 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea has 3 hydrogen bond donor(s) and 4 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 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea?
The CAS number of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea is 710311-95-8.
What is the molecular formula of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea?
The molecular formula of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea is C10H10N4OS2.
What is the molecular weight of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea?
The molecular weight of 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea is 266.03 g/mol.
Where can I buy 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea?
You can request a quote for 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Mercapto-1,3,4-thiadiazol-2-yl)-3-p-tolylurea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.