3'-Thiothymidine

Base Information

• Chemical Name: 3'-Thiothymidine
• CAS No.: 126862-95-1
• Molecular Formula: C10H14 N2 O4 S
• Molecular Weight: 258.29
• DSSTox Substance ID: DTXSID00925724
• Nikkaji Number: J2.328.799D
• Wikidata: Q82900145
• ChEMBL ID: CHEMBL465056
• Mol file: 126862-95-1.mol

Synonyms:3'-mercapto-3'-deoxythymidine;3'-thiothymidine

Chemical Property of 3'-Thiothymidine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 123.38000
• Density: 1.45g/cm³
• LogP: -0.16450
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 258.06742811
• Heavy Atom Count: 17
• Complexity: 385

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)S
• Isomeric SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)S