| Identification | Back Directory | [Name]
S-((1R,2R,4R)-2-hydroxy-4-(2,2,2-trifluoroacetamido)cyclohexyl)benzothioate | [CAS]
1350636-92-8 | [Synonyms]
EOS-60783
S-((1R,2R,4R)-2-hydroxy-4-(2,2,2-trifluoroacetamido)cyclohexyl)benzothioate
{(1R,2R,4R)-4-[(2,2,2-trifluoro-a
cetyl)-amino]-2-hydroxy-cyclohe xyl} benzene-carbothioate
Benzenecarbothioic acid, S-[(1R,2R,4R)-2-hydroxy-4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] ester | [Molecular Formula]
C15H16F3NO3S | [MOL File]
1350636-92-8.mol | [Molecular Weight]
347.35 |
| Chemical Properties | Back Directory | [Boiling point ]
473.6±45.0 °C(Predicted) | [density ]
1.39±0.1 g/cm3(Predicted) | [pka]
10.39±0.60(Predicted) | [InChI]
InChI=1S/C15H16F3NO3S/c16-15(17,18)14(22)19-10-6-7-12(11(20)8-10)23-13(21)9-4-2-1-3-5-9/h1-5,10-12,20H,6-8H2,(H,19,22)/t10-,11-,12-/m1/s1 | [InChIKey]
QBWQBQSXEUQQND-IJLUTSLNSA-N | [SMILES]
C1(C(S[C@@H]2CC[C@@H](NC(C(F)(F)F)=O)C[C@H]2O)=O)=CC=CC=C1 |
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