2-[(3-Thienylmethyl)Thio]-Acetic Acid
[CAS# 16401-41-5]

Identification

• Name: 2-[(3-Thienylmethyl)Thio]-Acetic Acid
• Synonyms: 2-(3-Thienylmethylsulfanyl)Acetate; 2-(3-Thienylmethylthio)Acetate; 2-(Thiophen-3-Ylmethylsulfanyl)Ethanoate
• Molecular Formula: C₇H₇O₂S₂
• Molecular Weight: 187.25
• CAS Registry Number: 16401-41-5
• SMILES: C1=CSC=C1CSCC([O-])=O
• InChI: 1S/C7H8O2S2/c8-7(9)5-11-4-6-1-2-10-3-6/h1-3H,4-5H2,(H,8,9)/p-1
• InChIKey: DSWBMKLXQKVTDK-UHFFFAOYSA-M

Properties

• Boiling point: 337.892°C at 760 mmHg (Cal.)
• Flash point: 158.152°C (Cal.)