29140-61-2
1-PIPERAZINECARBODITHIOIC ACID, 4-(1-NAPHTHYLMETHYL)-, SODIUM SALT, DI HYDRATE
Name1-PIPERAZINECARBODITHIOIC ACID, 4-(1-NAPHTHYLMETHYL)-, SODIUM SALT, DI HYDRATE
FormulaC16 H17 N2 Na S2 . 2 H2 O
1Identification
【Name】
1-PIPERAZINECARBODITHIOIC ACID, 4-(1-NAPHTHYLMETHYL)-, SODIUM SALT, DI HYDRATE
【CAS】
【MDL】
MFCD01703769
【English Synonyms】
【Formula】
C16 H17 N2 Na S2 . 2 H2 O
【MolWeight】
360.476
【Inchi】
InChI=1S/C16H18N2S2.Na.2H2O/c19-16(20)18-10-8-17(9-11-18)12-14-6-3-5-13-4-1-2-7-15(13)14;;;/h1-7H,8-12H2,(H,19,20);;2*1H2/q;+1;;/p-1
【InChIKey】
InChIKey=RAHNCEAZCRUDKD-UHFFFAOYSA-M
【SMILES】
c1ccc2c(c1)cccc2CN3CCN(CC3)C(=S)S[Na].O.O
【MOL File】
1-PIPERAZINECARBODIT….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBODITHIOIC ACID, 4-(1-NAPHTHYLMETHYL)-, SODIUM SALT, DI HYDRATE.cml