53446-10-9
3-CYSTEINYLACETAMINOPHEN TRIFLUOROACETIC ACID SALT
Name3-CYSTEINYLACETAMINOPHEN TRIFLUOROACETIC ACID SALT
FormulaC11 H14 N2 O4 S . C2 H F3 O2
1Identification
【Name】
3-CYSTEINYLACETAMINOPHEN TRIFLUOROACETIC ACID SALT
【CAS】
【MDL】
MFCD07357248
【English Synonyms】
【Formula】
C11 H14 N2 O4 S . C2 H F3 O2
【MolWeight】
384.329
【Inchi】
InChI=1S/C11H14N2O4S.C2HF3O2/c1-6(14)13-7-2-3-9(15)10(4-7)18-5-8(12)11(16)17;3-2(4,5)1(6)7/h2-4,8,15H,5,12H2,1H3,(H,13,14)(H,16,17);(H,6,7)/t8-;/m0./s1
【InChIKey】
InChIKey=PDZGEXMJHANKLR-QRPNPIFTSA-N
【SMILES】
CC(=O)Nc1ccc(c(c1)SC[C@@H](C(=O)O)N)O.C(=O)(C(F)(F)F)O
【MOL File】
3-CYSTEINYLACETAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CYSTEINYLACETAMINOPHEN TRIFLUOROACETIC ACID SALT.cml