HIT ID: HIT212717318
Cas No: 5819-56-7
分子式: C18H32ClNOS
分子量: 345.97
常用名: m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride
常用名: m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 5.7354035
IUPAC: 4-(octyloxy)-3-[(propylsulfanyl)methyl]aniline hydrochloride
IUPAC: 4-(octyloxy)-3-[(propylsulfanyl)methyl]aniline hydrochloride
SMILES: Cl.CCCCCCCCOc1ccc(N)cc1CSCCC
SMILES: Cl.CCCCCCCCOc1ccc(N)cc1CSCCC
InChI key: KSNDKVUISGBHDR-UHFFFAOYSA-N