((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid
TL;DR: ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid (CAS 76469-41-5) is a chemical compound with molecular formula C5H6N2O2S2 and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Also Known As: (5-Methyl-[1,3,4]thiadiazol-2-ylsulfanyl)-acetic acid, -ACETICACID, 2,3,5-Trifluoropyridine, TimTec1_003815, 2-((5-Methyl-1,3,4-thiadiazol-2-yl)thio)acetic acid
| Molecular Formula | C5H6N2O2S2 |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.98708 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 76469-41-5 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC(=O)O |
| InChIKey | DJBLVKBSHOUHAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid (CAS 76469-41-5), with molecular formula C5H6N2O2S2 and molecular weight 189.99 g/mol. IUPAC: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid
Property Insights of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid. Following Lipinski's Rule of Five, ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid has 1 hydrogen bond donor(s) and 6 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 ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid?
The CAS number of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid is 76469-41-5.
What is the molecular formula of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid?
The molecular formula of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid is C5H6N2O2S2.
What is the molecular weight of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid?
The molecular weight of ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid is 189.99 g/mol.
Where can I buy ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid?
You can request a quote for ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for ((5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.