6-[2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]-8-Thiabicyclo[3.3.0]Octa-6,9 -Diene-7-Carboxylic Acid Hydrochloride
[CAS# 85462-73-3]

Identification

• Name: 6-[2-Hydroxy-3-(Propan-2-Ylamino)Propoxy]-8-Thiabicyclo[3.3.0]Octa-6,9 -Diene-7-Carboxylic Acid Hydrochloride
• Synonyms: 3-[2-Hydroxy-3-(Isopropylamino)Propoxy]-5,6-Dihydro-4H-Cyclopenta[D]Thiophene-2-Carboxylic Acid Hydrochloride; 4H-Cyclopenta(B)Thiophene-2-Carboxylic Acid, 5,6-Dihydro-3-(2-Hydroxy-3-((1-Methylethyl)Amino)Propoxy)-, Hydrochloride
• Molecular Formula: C₁₄H₂₂ClNO₄S
• Molecular Weight: 335.85
• CAS Registry Number: 85462-73-3
• SMILES: [H+].C(OC1=C(SC2=C1CCC2)C(O)=O)C(O)CNC(C)C.[Cl-]
• InChI: 1S/C14H21NO4S.ClH/c1-8(2)15-6-9(16)7-19-12-10-4-3-5-11(10)20-13(12)14(17)18;/h8-9,15-16H,3-7H2,1-2H3,(H,17,18);1H
• InChIKey: GIXSGKNFVZLNJN-UHFFFAOYSA-N

Properties

• Boiling point: 534.6°C at 760 mmHg (Cal.)
• Flash point: 277.1°C (Cal.)