![1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid structure](/static/products/3118/31181-06-3.webp)
1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid
TL;DR: 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid (CAS 31181-06-3) is a chemical compound with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid
Also Known As: 1-[(Z)-(carbamothioylhydrazinylidene)methyl]isoquinoline-5-c, 1-[(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid, 1-({2-[Imino(sulfanyl)methyl]hydrazinylidene}methyl)isoquinoline-5-carboxylic acid, 5-Isoquinolinecarboxylicacid, 1-[[2-(aminothioxomethyl)hydrazinylidene]methyl]-
| Molecular Formula | C12H10N4O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 1.1001 |
| Topological Polar Surface Area | 100.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05246 |
| Heavy Atoms | 19 |
| Complexity | 684.48376 |
Chemical Identifiers
| CAS Number | 31181-06-3 |
|---|---|
| SMILES | C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(=O)O |
Product Overview
1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid (CAS 31181-06-3), with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol. IUPAC: 1-[(carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid.
Chemical Property Profile of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid
Property Insights of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid
The XLogP value of 1.1001 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid. The TPSA of 100.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid. Following Lipinski's Rule of Five, 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid has 3 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 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid?
The CAS number of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid is 31181-06-3.
What is the molecular formula of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid?
The molecular formula of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid is C12H10N4O2S.
What is the molecular weight of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid?
The molecular weight of 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid is 274.05 g/mol.
Where can I buy 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid?
You can request a quote for 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Carbamothioylhydrazinylidene)methyl]isoquinoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.