Compound Summary
Compound Information
Thiocitrulline
Compound Name: | Thiocitrulline |
Compound CID: | 3353976 |
Synonyms: | Thiocitrulline |
Iupac Name: | 2-amino-5-(carbamothioylamino)pentanoic acid |
InChI: | InChI=1S/C6H13N3O2S/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12) |
InChIKey: | BKGWACHYAMTLAF-UHFFFAOYSA-N |
Canonical Smiles: | C(CC(C(=O)O)N)CNC(=S)N |
Isomeric Smiles: | C(CC(C(=O)O)N)CNC(=S)N |
Molecular Weight: | 191.25 |
Molecular Formula: | C6H13N3O2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Thiocitrulline
Molecular Weight: | 191.25 |
Molecular Formula: | C6H13N3O2S |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 4 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 12 |
Complexity: | 174 |
Synonyms
Thiocitrulline
Experimental Data
Thiocitrulline
Experimental Data Visualization
Thiocitrulline
Statistics Data
Thiocitrulline
Statistics Data Visualization
Thiocitrulline
