(Thien-2-Ylmethyl)Thio]Acetic Acid
[CAS# 49846-99-3]

Identification

• Name: (Thien-2-Ylmethyl)Thio]Acetic Acid
• Synonyms: 2-(2-Thienylmethylsulfanyl)Acetate; 2-(2-Thienylmethylthio)Acetate; 2-(Thiophen-2-Ylmethylsulfanyl)Ethanoate
• Molecular Formula: C₇H₇O₂S₂
• Molecular Weight: 187.25
• CAS Registry Number: 49846-99-3
• SMILES: C1=C(SC=C1)CSCC([O-])=O
• InChI: 1S/C7H8O2S2/c8-7(9)5-10-4-6-2-1-3-11-6/h1-3H,4-5H2,(H,8,9)/p-1
• InChIKey: RGJSUUAQUWWHHK-UHFFFAOYSA-M

Properties

• Boiling point: 333.574°C at 760 mmHg (Cal.)
• Flash point: 155.54°C (Cal.)