Chemical Properties of Thenalidine (CAS 86-12-4)

Thenalidine

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InChI
InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3
InChI Key
KLOHYVOVXOUKQI-UHFFFAOYSA-N
Formula
C17H22N2S
SMILES
CN1CCC(N(Cc2cccs2)c2ccccc2)CC1
Molecular Weight1
286.44
CAS
86-12-4
Other Names
  • 4-Piperidinamine, 1-methyl-N-phenyl-N-(2-thienylmethyl)-
  • Piperidine, 1-methyl-4-(N-2-thenylanilino)-
  • 1-Methyl-4-amino-N-phenyl-N-(2-thenyl)piperidine
  • 1-Methyl-4-N-2-thenylanilinopiperidine
  • Thenophenopiperidine
  • Sandostene
  • Thenaldine
  • Sanbosten

Physical Properties

Property Value Unit Source
log10WS -3.92 Crippen Calculated Property
logPoct/wat 3.849 Crippen Calculated Property
McVol 232.620 ml/mol McGowan Calculated Property
Inp [2252.00; 2270.00]   Show Hide
Inp 2252.00 NIST
Inp 2270.00 NIST
Inp 2260.00 NIST
Inp 2270.00 NIST

Similar Compounds

Benazepril Me. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS. Sophoramine. 3'-dihydrocinnamoylindicine. SCHEMBL9488362. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Ajmaline. Etorphine. 5'-S-Methyl-5'-thioadenosine, N,O,O'-tris(trifluoroacetyl)-.

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