4-Amino-1-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Thiolan-2-Yl]Pyrimidin-2-One
[CAS# 134111-30-1]

Identification

• Name: 4-Amino-1-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Thiolan-2-Yl]Pyrimidin-2-One
• Synonyms: 4-Amino-1-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrothiophen-2-Yl]Pyrimidin-2-One; 4-Amino-1-[(4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrothiophenyl]-2-Pyrimidinone; 4-Amino-1-[(4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrothiophen-2-Yl]Pyrimidin-2-One
• Molecular Formula: C₉H₁₃N₃O₃S
• Molecular Weight: 243.28
• CAS Registry Number: 134111-30-1
• SMILES: [C@@H]1(CC(S[C@@H]1CO)N2C=CC(=NC2=O)N)O
• InChI: 1S/C9H13N3O3S/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8?/m0/s1
• InChIKey: MOMUJZRKXYLWMH-FWHJPCMOSA-N

Properties

• Density: 1.748g/cm³ (Cal.)
• Boiling point: 506.985°C at 760 mmHg (Cal.)
• Flash point: 260.416°C (Cal.)