Sodium 5-Benzyl-6-Thioxodihydro-2H-1,3,5-Thiadiazine-3(4H)-Acetate
[CAS# 1950-15-8]

Identification

• Name: Sodium 5-Benzyl-6-Thioxodihydro-2H-1,3,5-Thiadiazine-3(4H)-Acetate
• Synonyms: Sodium 2-[5-(Phenylmethyl)-6-Thioxo-1,3,5-Thiadiazinan-3-Yl]Acetate; Sodium 2-[5-(Benzyl)-6-Thioxo-1,3,5-Thiadiazinan-3-Yl]Acetate; Sodium 2-[5-(Phenylmethyl)-6-Sulfanylidene-1,3,5-Thiadiazinan-3-Yl]Ethanoate
• Molecular Formula: C₁₂H₁₃N₂NaO₂S₂
• Molecular Weight: 304.36
• CAS Registry Number: 1950-15-8
• EINECS: 217-766-9
• SMILES: C2=C(CN1C(SCN(C1)CC([O-])=O)=S)C=CC=C2.[Na+]
• InChI: 1S/C12H14N2O2S2.Na/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,15,16);/q;+1/p-1
• InChIKey: YEOVSRMZSRGQNK-UHFFFAOYSA-M

Properties

• Boiling point: 472.3°C at 760 mmHg (Cal.)
• Flash point: 239.4°C (Cal.)