HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3
[4-[[(2-Cyanoethyl)thio]Methyl]-2-thiazolyl]guanidine-13C3 · 3-[2-[(Diaminomethylene)amino-4-thiazolyl]thio]propionitrile-13C3
![3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3 molecular structure](/img/chemical/45038936.png)
Identifiers & Physical Properties
| CAS No. | 1185040-73-6 |
|---|---|
| Molecular formula | C8H11N5S2 |
| Average molar mass | 244.3 g/mol |
| Monoisotopic mass | 244.05565223 g/mol |
| SMILES | N#CCCSC[13c]1cs[13c](N=[13C](N)N)n1 |
| InChIKey | FSKYYRZENXOYAP-TTXLGWKISA-N |
| PubChem CID | 45038936 |
| DTXSID | DTXSID30661901 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 155 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 267 |
| Solubility | Acetone, Chloroform, Dichloromethane, Methanol |
| Physical state | Solid |
| Color | White |
Applications & Uses
Uses
3-[[[2-[(Diaminomethylene]amino-4-thiazolyl]thio]propionitrile-13C3 (cas# 1185040-73-6) is a compound useful in organic synthesis.