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Substance Name: 2-Cyclohexen-1-one, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-, thiosemicarbazone
RN: 101931-82-2
InChIKey: JFUDBCXCGILAGW-QPSGOUHRSA-N

Molecular Formula

  • C13-H17-F6-N3-O-S

Molecular Weight

  • 377.3513
 
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Names and Synonyms

  • 2-Cyclohexen-1-one, 6-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propyl)-3,5,5-trimethyl-, thiosemicarbazone

Registry Numbers

CAS Registry Number

  • 101931-82-2

System Generated Number

  • 0101931822

Structure Descriptors

InChI

1S/C13H17F6N3OS/c1-6-4-7(21-22-9(20)24)8(10(2,3)5-6)11(23,12(14,15)16)13(17,18)19/h4,8,23H,5H2,1-3H3,(H3,20,22,24)/b21-7+

InChIKey

JFUDBCXCGILAGW-QPSGOUHRSA-N

Smiles

CC1=C/C(=N\NC(=S)N)/C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08217,