59547-52-3
4-[[5-(1,2-DITHIOLAN-3-YL)-1-OXOPENTYL]AMINO]BUTANOIC ACID
Name4-[[5-(1,2-DITHIOLAN-3-YL)-1-OXOPENTYL]AMINO]BUTANOIC ACID
1Identification
【Name】
4-[[5-(1,2-DITHIOLAN-3-YL)-1-OXOPENTYL]AMINO]BUTANOIC ACID
【CAS】
【MDL】
MFCD01741866
【English Synonyms】
【Formula】
C12 H21 N O3 S2
【MolWeight】
291.434
【Inchi】
InChI=1S/C12H21NO3S2/c14-11(13-8-3-6-12(15)16)5-2-1-4-10-7-9-17-18-10/h10H,1-9H2,(H,13,14)(H,15,16)
【InChIKey】
InChIKey=PZSMUPGANZGPBF-UHFFFAOYSA-N
【SMILES】
C1CSSC1CCCCC(=O)NCCCC(=O)O
【MOL File】
4-[[5-(1,2-DITHIOLAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[[5-(1,2-DITHIOLAN-3-YL)-1-OXOPENTYL]AMINO]BUTANOIC ACID.cml