3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile
TL;DR: 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile (CAS 1185040-73-6) is a chemical compound with molecular formula C8H11N5S2 and molecular weight 241.0456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
Also Known As: Famotidine Impurity 24, Famotidine Impurity 16, 2-(4-(((2-Cyanoethyl)thio)methyl)thiazol-2-yl)guanidine, 3-(2-GUANIDINO-THIAZOL-4-YL-METHYLTHIO)-PROPIONITRILE, 2-[4-(2-Cyanoethylthio)methyl]thiazolyl guanidine
Technical Specifications
| Molecular Formula | C8H11N5S2 |
| Molecular Weight | 241.0456 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.0456 Da |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
| SMILES | C1=C(N=C(S1)N=C(N)N)CSCCC#N |
| InChIKey | FSKYYRZENXOYAP-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile
Property Insights of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile. The TPSA of 155.0 Ų indicates high polarity, suggesting 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile 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 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile?
The CAS number of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile is 1185040-73-6.
What is the molecular formula of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile?
The molecular formula of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile is C8H11N5S2.
What is the molecular weight of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile?
The molecular weight of 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile is 241.0456 g/mol.
Where can I buy 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile?
You can request a quote for 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile?
Yes, CoreyChem provides custom synthesis services for 3-(2-(Diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.