N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid
TL;DR: N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid (CAS 107811-27-8) is a chemical compound with molecular formula C9H14N4O2S and molecular weight 242.08374 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-propan-2-yl-N-(1,3,4-thiadiazol-2-yl)butanediamide
Also Known As: 4-Isothiocyanatophthalhydrazide, N-Isopropyl-N'-(1,3,4-thiadiazol-2-yl)succinamide, N1-Isopropyl-N4-(1,3,4-thiadiazol-2-yl)succinamide, Succinamide, N-isopropyl-N'-(1,3,4-thiadiazol-2-yl)-, N1-isopropyl-N1-(1,3,4-thiadiazol-2-yl)succinamide
Technical Specifications
| Molecular Formula | C9H14N4O2S |
| Molecular Weight | 242.08374 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.08374 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | CC(C)NC(=O)CCC(=O)NC1=NN=CS1 |
| InChIKey | CSSYWLJETIHDEA-UHFFFAOYSA-N |
Chemical Property Profile of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid
Property Insights of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid
The XLogP value of -0.1 indicates that N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid. Following Lipinski's Rule of Five, N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid?
The CAS number of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid is 107811-27-8.
What is the molecular formula of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid?
The molecular formula of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid is C9H14N4O2S.
What is the molecular weight of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid?
The molecular weight of N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid is 242.08374 g/mol.
Where can I buy N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid?
You can request a quote for N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid?
Yes, CoreyChem provides custom synthesis services for N~1~-(Propan-2-yl)-N~4~-(1,3,4-thiadiazol-2-yl)butanediimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.