Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-
TL;DR: Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- (CAS 110767-59-4) is a chemical compound with molecular formula C11H10N4O4S and molecular weight 294.04227 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: ACETIC ACID, ((4-AMINO-5-(1,3-BENZODIOXOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-, ((4-Amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)acetic acid, 3-(3,4-Diossimetilenefenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo [Italian], 3-(3,4-Diossimetilenefenil)-4-ammino-5-carbossimetiltio-4H-1,2,4-triazolo, [[4-Amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
Technical Specifications
| Molecular Formula | C11H10N4O4S |
| Molecular Weight | 294.04227 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 138.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.04227 Da |
| Heavy Atoms | 20 |
| Complexity | 374.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(N3N)SCC(=O)O |
| InChIKey | TYCGEFVJGGTSAQ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-
Property Insights of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-. The TPSA of 138.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-?
The CAS number of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- is 110767-59-4.
What is the molecular formula of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular formula of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- is C11H10N4O4S.
What is the molecular weight of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-?
The molecular weight of Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- is 294.04227 g/mol.
Where can I buy Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-?
You can request a quote for Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((4-amino-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.