2-Thiocytidine
[CAS# 13239-97-9]

Identification

• Classification: Biochemical >> Nucleoside drugs >> Nucleoside intermediate
• Name: 2-Thiocytidine
• Synonyms: 4-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Pyrimidine-2-Thione; 4-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-2-Pyrimidinethione; 4-Amino-1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]Pyrimidine-2-Thione
• Molecular Formula: C₉H₁₃N₃O₄S
• Molecular Weight: 259.28
• CAS Registry Number: 13239-97-9
• EINECS: 236-214-8
• SMILES: [C@H]2(N1C(N=C(C=C1)N)=S)[C@@H]([C@H](O)[C@H](O2)CO)O
• InChI: 1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1
• InChIKey: RHFUOMFWUGWKKO-XVFCMESISA-N

Properties

• Density: 1.854g/cm³ (Cal.)
• Boiling point: 540.49°C at 760 mmHg (Cal.)
• Flash point: 280.679°C (Cal.)