31327-86-3
ETHANETHIOL, 2-(2-PHTHALIMIDOETHYLAMINO)-, MONOSODIUM PHOSPHATE (ESTER), HEXAHYDRATE
NameETHANETHIOL, 2-(2-PHTHALIMIDOETHYLAMINO)-, MONOSODIUM PHOSPHATE (ESTER), HEXAHYDRATE
FormulaC12 H14 N2 O5 P S . Na . 6 H2 O
1Identification
【Name】
ETHANETHIOL, 2-(2-PHTHALIMIDOETHYLAMINO)-, MONOSODIUM PHOSPHATE (ESTER), HEXAHYDRATE
【CAS】
【MDL】
MFCD01728325
【English Synonyms】
【Formula】
C12 H14 N2 O5 P S . Na . 6 H2 O
【MolWeight】
460.37
【Inchi】
InChI=1S/C12H15N2O5PS.Na.6H2O/c15-11-9-3-1-2-4-10(9)12(16)14(11)7-5-13-6-8-21-20(17,18)19;;;;;;;/h1-4,13H,5-8H2,(H2,17,18,19);;6*1H2/q;+1;;;;;;/p-1
【InChIKey】
InChIKey=KNIINRNNDKJMJO-UHFFFAOYSA-M
【SMILES】
c1ccc2c(c1)C(=O)N(C2=O)CCNCCSP(=O)(O)[O-].O.O.O.O.O.O.[Na+]
【MOL File】
ETHANETHIOL, 2-(2-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHANETHIOL, 2-(2-PHTHALIMIDOETHYLAMINO)-, MONOSODIUM PHOSPHATE (ESTER), HEXAHYDRATE.cml