HIT ID: HIT212971107
Cas No: 36877-69-7
分子式: C29H30ClN3O3S
分子量: 536.09
常用名: RBITC [Rhodamine B 5-isothiocyanate]
常用名: RBITC [Rhodamine B 5-isothiocyanate]
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 6.45
IUPAC: 9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride
IUPAC: 9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-N,N-diethyl-3H-xanthen-3-iminium chloride
SMILES: [Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC
SMILES: [Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC
InChI key: YVSWPCCVTYEEHG-UHFFFAOYSA-N
