14116-06-4 ((Benzeneethanamine, alpha-methyl-4-(methylthio)-)

Benzeneethanamine, alpha-methyl-4-(methylthio)-(14116-06-4)名称与标识符

名称

英文别名:
Benzeneethanamine, alpha-methyl-4-(methylthio)-;4-Methylthioamphetamine;1-(4-methylsulfanylphenyl)propan-2-amine;4-METHYLTHIOAMPHETAMIN;4-MTA;2-Amino-1-<4-methylmercapto-phenyl>-propan;p-Methylthioamphetamine;P 1882;α-Methyl-4-(Methylthio)benzeneethanaMine;

标识符

InChIKey:
OLEWMKVPSUCNLG-UHFFFAOYSA-N
Inchi:
InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11H2,1-2H3
SMILES:
CC(CC1=CC=C(C=C1)SC)N

Benzeneethanamine, alpha-methyl-4-(methylthio)-(14116-06-4)物化性质

实验特性

  • LogP : 2.99850
  • PSA : 51.32000

计算特性

  • 精确分子量 : 181.09300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 3
  • 重原子数量 : 12

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