1-(p-Toluenesulfonyl)-3-thiomorpholinourea
TL;DR: 1-(p-Toluenesulfonyl)-3-thiomorpholinourea (CAS 23668-90-8) is a chemical compound with molecular formula C12H16N3O4S2+ and molecular weight 330.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-3-(4-sulfanylidenemorpholin-4-ium-2-yl)urea
Also Known As: Thiazanol, 1-(p-Toluenesulfonyl)-3-thiomorpholinourea, 1-(4-methylphenyl)sulfonyl-3-(4-sulfanylidenemorpholin-4-ium-2-yl)urea, 4-Methyl-N-((4-thiomorpholinylamino)carbonyl)benzene sulfonamide, 2-{[Hydroxy(4-methylbenzene-1-sulfonamido)methylidene]amino}-4-sulfanylidenemorpholin-4-ium
| Molecular Formula | C12H16N3O4S2+ |
|---|---|
| Molecular Weight | 330.06 g/mol |
| LogP | 0.08222 |
| Topological Polar Surface Area | 87.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.05823 |
| Heavy Atoms | 21 |
| Complexity | 642.9713 |
Chemical Identifiers
| CAS Number | 23668-90-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2C[N+](=S)CCO2 |
Product Overview
1-(p-Toluenesulfonyl)-3-thiomorpholinourea (CAS 23668-90-8), with molecular formula C12H16N3O4S2+ and molecular weight 330.06 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-3-(4-sulfanylidenemorpholin-4-ium-2-yl)urea.
Chemical Property Profile of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea
Property Insights of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea
The XLogP value of 0.08222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Toluenesulfonyl)-3-thiomorpholinourea. The TPSA of 87.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(p-Toluenesulfonyl)-3-thiomorpholinourea. Following Lipinski's Rule of Five, 1-(p-Toluenesulfonyl)-3-thiomorpholinourea 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 1-(p-Toluenesulfonyl)-3-thiomorpholinourea?
The CAS number of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea is 23668-90-8.
What is the molecular formula of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea?
The molecular formula of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea is C12H16N3O4S2+.
What is the molecular weight of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea?
The molecular weight of 1-(p-Toluenesulfonyl)-3-thiomorpholinourea is 330.06 g/mol.
Where can I buy 1-(p-Toluenesulfonyl)-3-thiomorpholinourea?
You can request a quote for 1-(p-Toluenesulfonyl)-3-thiomorpholinourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(p-Toluenesulfonyl)-3-thiomorpholinourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Toluenesulfonyl)-3-thiomorpholinourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.