N-[3-Methyl-5-[(Phenylmethyl)Thio]-1,3,4-Thiadiazol-2(3H)-Ylidene]Acetamide
[CAS# 95046-30-3]

Identification

• Name: N-[3-Methyl-5-[(Phenylmethyl)Thio]-1,3,4-Thiadiazol-2(3H)-Ylidene]Acetamide
• Synonyms: N-[3-Methyl-5-(Phenylmethylthio)-1,3,4-Thiadiazol-2-Ylidene]Acetamide; N-[5-(Benzylthio)-3-Methyl-1,3,4-Thiadiazol-2-Ylidene]Acetamide; N-[3-Methyl-5-(Phenylmethylsulfanyl)-1,3,4-Thiadiazol-2-Ylidene]Ethanamide
• Molecular Formula: C₁₂H₁₃N₃OS₂
• Molecular Weight: 279.37
• CAS Registry Number: 95046-30-3
• EINECS: 305-817-9
• SMILES: C2=C(CSC1=NN(C(S1)=NC(=O)C)C)C=CC=C2
• InChI: 1S/C12H13N3OS2/c1-9(16)13-11-15(2)14-12(18-11)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
• InChIKey: IPHBGOSQKZPELD-UHFFFAOYSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 403.181°C at 760 mmHg (Cal.)
• Flash point: 197.637°C (Cal.)