852388-91-1
([(2,6-DIMETHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO)ACETIC ACID
Name([(2,6-DIMETHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO)ACETIC ACID
1Identification
【Name】
([(2,6-DIMETHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD06655446
【English Synonyms】
【Formula】
C10 H17 N O2 S2
【MolWeight】
247.381
【Inchi】
InChI=1S/C10H17NO2S2/c1-7-4-3-5-8(2)11(7)10(14)15-6-9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
【InChIKey】
InChIKey=NCIPUDYBLPRKCW-UHFFFAOYSA-N
【SMILES】
CC1CCCC(N1C(=S)SCC(=O)O)C
【MOL File】
([(2,6-DIMETHYLPIPER….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([(2,6-DIMETHYLPIPERIDIN-1-YL)CARBONOTHIOYL]THIO)ACETIC ACID.cml