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Home> Hot Product Listed 9   > 9N-314S
84255-38-9 structure

9N-314S

Iupac Name:2-heptadecyl-1H-imidazole-5-carbodithioic acid
CAS No.:84255-38-9
Molecular Weight:382.66982
Molecular Formula:C17H21NO4 (isomer)
Names and Identifiers
Synonyms

2-[(2,4-dichlorobenzyl)sulfanyl]-9-methyl-5h-thiochromeno[4,3-d]pyrimidine 2-[(2,4-dichlorophenyl)methylsulfanyl]-9-methyl-5h-thiochromeno[4,3-d]pyrimidine 2-{[(2,4-dichlorophenyl)methyl]sulfanyl}-9-methyl-5h-thiochromeno[4,3-d]pyrimidine AC1MX34X AKOS005103793 KS-00003G8Z MCULE-5637711256 MOLPORT-002-883-145 ZINC5747435

Inchi
InChI=1/C21H38N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-22-18-19(23-20)21(24)25/h18H,2-17H2,1H3,(H,22,23)(H,24,25)
Canonical Smiles
CCCCCCCCCCCCCCCCCC1=NC=C(N1)C(=S)S
Properties
Refractive Index
1.538
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:382.66982g/mol
  • Molecular Formula:C17H21NO4
  • Exact Mass:382.247641
  • Monoisotopic Mass:382.247641
  • Complexity:323
  • Rotatable Bond Count:17
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:61.8
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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