HIT ID: HIT212687399
Cas No: 26905-70-4
分子式: C13H9ClOS
分子量: 248.72
常用名: 2-(4-Chloro-3-hydroxy-1-butynyl-5-(1,3-pentadiynyl)thiophene
常用名: 2-(4-Chloro-3-hydroxy-1-butynyl-5-(1,3-pentadiynyl)thiophene
氢键受体数 (HBA): 1
氢键供体数 (HBD): 1
LogP: 3.910427
IUPAC: 1-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-2-ol
IUPAC: 1-chloro-4-[5-(penta-1,3-diyn-1-yl)thiophen-2-yl]but-3-yn-2-ol
SMILES: CC#CC#Cc1ccc(s1)C#CC(O)CCl
SMILES: CC#CC#Cc1ccc(s1)C#CC(O)CCl
InChI key: YSYBCKHAFOAQDX-UHFFFAOYSA-N
