L-thiocitrulline

Base Information

• Chemical Name: L-thiocitrulline
• CAS No.: 156719-37-8
• Molecular Formula: C6H13 N3 O2 S
• Molecular Weight: 191.25
• Nikkaji Number: J587.762H
• Wikidata: Q27094813
• Metabolomics Workbench ID: 148435
• ChEMBL ID: CHEMBL93247
• Mol file: 156719-37-8.mol

Synonyms:N(delta)-thioureido-L-norvaline;thiocitrulline

Chemical Property of L-thiocitrulline

Chemical Property:

• Melting Point: approximate 236℃（decomposition）
• Boiling Point: 399.8 °C at 760 mmHg
• Flash Point: 195.6 °C
• PSA: 137.01000
• Density: 1.33 g/cm³
• LogP: 1.01010
• Storage Temp.: 2-8°C
• XLogP3: -3.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 191.07284784
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

THIO-L-CITRULLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(C(=O)O)N)CNC(=S)N
• Isomeric SMILES: C(C[C@@H](C(=O)O)N)CNC(=S)N