93748-48-2 ((1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (S)-)

CAS号:
93748-48-2
英文名称:
1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (S)-
分子式:
C13H20O4S
分子量:
272.360503196716

1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (S)-(93748-48-2)名称与标识符

名称

英文别名:
1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (S)-;(S)-3-hydroxy-2,3-dimethylbutyl 4-toluenesulfonate;(S)-3-hydroxy-2,3-dimethylbutyl p-toluenesulfonate;S-2,3-Dimethyl-1,3-butanediol 1-tosylate;1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (2S)-;

标识符

InChIKey:
PYQROWINYGUXKF-NSHDSACASA-N
Inchi:
1S/C13H20O4S/c1-10-5-7-12(8-6-10)18(15,16)17-9-11(2)13(3,4)14/h5-8,11,14H,9H2,1-4H3/t11-/m0/s1
SMILES:
C(OS(C1=CC=C(C)C=C1)(=O)=O)[C@H](C)C(C)(O)C

1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (S)-(93748-48-2)物化性质

实验特性

  • LogP : 3.18810
  • PSA : 71.98000

计算特性

  • 精确分子量 : 272.10800

1,3-Butanediol, 2,3-dimethyl-, 1-(4-methylbenzenesulfonate), (S)-(93748-48-2)上下游