Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester
TL;DR: Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester (CAS 2962-75-6) is a chemical compound with molecular formula C18H18N4S2 and molecular weight 354.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate
Also Known As: Pseudourea, ATPU, Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester, anthracene-9,10-diyldimethanediyl dicarbamimidothioate, 2,2 -(9,10-Anthrylenebismethylene)bis(isothiourea)
| Molecular Formula | C18H18N4S2 |
|---|---|
| Molecular Weight | 354.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.0973 |
| Heavy Atoms | 24 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 2962-75-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N |
| InChIKey | ULXNUSWDNFKRMZ-UHFFFAOYSA-N |
Product Overview
Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester (CAS 2962-75-6), with molecular formula C18H18N4S2 and molecular weight 354.10 g/mol. IUPAC: [10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate.
Chemical Property Profile of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester
Property Insights of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester
The XLogP value of 3.9 indicates that Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester has 4 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 Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester?
The CAS number of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester is 2962-75-6.
What is the molecular formula of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester?
The molecular formula of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester is C18H18N4S2.
What is the molecular weight of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester?
The molecular weight of Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester is 354.10 g/mol.
Where can I buy Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester?
You can request a quote for Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamimidothioic acid, 9,10-anthracenediylbis(methylene) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.