Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-
TL;DR: Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- (CAS 64145-06-8) is a chemical compound with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid
Also Known As: ACETIC ACID, ((5-PHENYL-1,3,4-THIADIAZOL-2-YL)THIO)-, ((5-Phenyl-1,3,4-thiadiazol-2-yl)thio)acetic acid, 4-27-00-07342 (Beilstein Handbook Reference), Acido (5-fenil-1,3,4-tiadiazol-2-il-mercapto)-acetico, Acido (5-fenil-1,3,4-tiadiazol-2-il-mercapto)-acetico [Italian]
| Molecular Formula | C10H8N2O2S2 |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.00272 |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 64145-06-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN=C(S2)SCC(=O)O |
| InChIKey | KASGLGRECIHPOP-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- (CAS 64145-06-8), with molecular formula C10H8N2O2S2 and molecular weight 252.00 g/mol. IUPAC: 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-
Property Insights of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-. Following Lipinski's Rule of Five, Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- 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 Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-?
The CAS number of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- is 64145-06-8.
What is the molecular formula of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-?
The molecular formula of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- is C10H8N2O2S2.
What is the molecular weight of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-?
The molecular weight of Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- is 252.00 g/mol.
Where can I buy Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-?
You can request a quote for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((5-phenyl-1,3,4-thiadiazol-2-yl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.