1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-
TL;DR: 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- (CAS 87575-86-8) is a chemical compound with molecular formula C12H14N4S and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethyl-1H-[1,3,5]triazino[1,2-a]benzimidazole-4-thione
Also Known As: 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-, 2,2,3-trimethyl-10H-[1,3,5]triazino[1,2-a]benzimidazole-4-thione, 2,2,3-Trimethyl-2,10-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazole-4(3H)-thione
| Molecular Formula | C12H14N4S |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.09392 |
| Heavy Atoms | 17 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 87575-86-8 |
|---|---|
| SMILES | CC1(NC2=NC3=CC=CC=C3N2C(=S)N1C)C |
| InChIKey | WEQBCRVWPQTGEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- (CAS 87575-86-8), with molecular formula C12H14N4S and molecular weight 246.09 g/mol. IUPAC: 2,2,3-trimethyl-1H-[1,3,5]triazino[1,2-a]benzimidazole-4-thione.
Chemical Property Profile of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-
Property Insights of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-. Following Lipinski's Rule of Five, 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- has 1 hydrogen bond donor(s) and 3 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 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-?
The CAS number of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- is 87575-86-8.
What is the molecular formula of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-?
The molecular formula of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- is C12H14N4S.
What is the molecular weight of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-?
The molecular weight of 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- is 246.09 g/mol.
Where can I buy 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-?
You can request a quote for 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazino(1,2-a)benzimidazole-4(1H)-thione, 2,3-dihydro-2,2,3-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.