N-Hydroxymethylsaccharin
[CAS# 13947-20-1]

Identification

• Name: N-Hydroxymethylsaccharin
• Synonyms: 1,1-Diketo-2-Methylol-1,2-Benzothiazol-3-One; Nsc75595; Nciopen2_004733
• Molecular Formula: C₈H₇NO₄S
• Molecular Weight: 213.21
• CAS Registry Number: 13947-20-1
• EINECS: 237-728-5
• SMILES: C1=CC=CC2=C1C(N(CO)[S]2(=O)=O)=O
• InChI: 1S/C8H7NO4S/c10-5-9-8(11)6-3-1-2-4-7(6)14(9,12)13/h1-4,10H,5H2
• InChIKey: PZWPTWZDBJUEMM-UHFFFAOYSA-N

Properties

• Density: 1.625g/cm³ (Cal.)
• Boiling point: 436.293°C at 760 mmHg (Cal.)
• Flash point: 217.662°C (Cal.)

References

• (1): Philip Prathipati, Ngai Ling Ma* and Thomas H. Keller. Global Bayesian Models for the Prioritization of Antitubercular Agents, J. Chem. Inf. Model., 2008, 48 (12), pp 2362–2370