HIT ID: HIT212717321
Cas No: 5819-63-6
分子式: C12H19NO3S
分子量: 257.35
常用名: m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
常用名: m-Toluidine, 4-butoxy-alpha-(methylsulfonyl)-
氢键受体数 (HBA): 4
氢键供体数 (HBD): 1
LogP: 0.91299236
IUPAC: 4-butoxy-3-(methanesulfonylmethyl)aniline
IUPAC: 4-butoxy-3-(methanesulfonylmethyl)aniline
SMILES: CCCCOc1ccc(N)cc1CS(C)(=O)=O
SMILES: CCCCOc1ccc(N)cc1CS(C)(=O)=O
InChI key: LHRINDKYTZABEV-UHFFFAOYSA-N