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Home> Hot Product Listed 2   > 2-Methylpiperidine-1-dithiocarboxylic acid
781648-29-1 structure

2-Methylpiperidine-1-dithiocarboxylic acid

Iupac Name:(8aR)-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CAS No.:781648-29-1
Molecular Weight:186.185
Molecular Formula:C17H21F3O3 (isomer)
Names and Identifiers
Synonyms

2-methyl-1-piperidinecarbodithioic acid # 2-methylpiperidine-1-carbodithioic acid 2-pipecoline-1-dithiocarbamate AC1L5IL7 CTK6C2356 Pipecolyl dithiocarbamic acid SCHEMBL6811055 SRLLDMVISOTQFV-UHFFFAOYSA-N

Inchi
InChI=1S/C6H6N2O3S/c9-4-1-7-5(10)3-2-12-6(11)8(3)4/h3H,1-2H2,(H,7,10)/t3-/m0/s1
InChkey
YSHDADHSNCFJPS-VKHMYHEASA-N
Canonical Smiles
C1C2C(=O)NCC(=O)N2C(=O)S1
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:186.185g/mol
  • Molecular Formula:C17H21F3O3
  • Compound Is Canonicalized:True
  • Exact Mass:186.01
  • Monoisotopic Mass:186.01
  • Complexity:278
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:91.8A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBjMABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgAAAAAHgQQAAAACCjFwASAAAPAAAgI AAEQEAAAAABAABAAAIGIAAAAQAAgACAUAAAAFiCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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