AC1Q5PKQ
2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate
Also Known As: KST-1A5459|(14e)-14-amino-14-imino-4,9-dioxo-13-thia-3,5,8,10-tetraazatetradec-1-yl carbamimidothioate(non-preferred name)|2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate
CAS: 5338-98-7
| Molecular Formula | C10H22N8O2S2 |
|---|---|
| Molecular Weight | 350.1307 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 350.1307 |
| Monoisotopic Mass | 350.1307 |
| Heavy Atoms | 22 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 5338-98-7 |
|---|---|
| SMILES | C(CNC(=O)NCCSC(=N)N)NC(=O)NCCSC(=N)N |
| InChIKey | IIAQEVQFHOXPMQ-UHFFFAOYSA-N |
Product Overview
AC1Q5PKQ (CAS 5338-98-7), with molecular formula C10H22N8O2S2 and molecular weight 350.1307 g/mol. IUPAC: 2-[2-(2-carbamimidoylsulfanylethylcarbamoylamino)ethylcarbamoylamino]ethyl carbamimidothioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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