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Home> Encyclopedia > Hot Product Listed 5   > 5H-Tetrazole-5-thione,1-(3,4-dichlorophenyl)-1,2-dihydro-
2915-57-3 structure

5H-Tetrazole-5-thione,1-(3,4-dichlorophenyl)-1,2-dihydro-

Iupac Name:bis(2-ethylhexyl) butanedioate
CAS No.:2915-57-3
Molecular Weight:342.52
Molecular Formula:C16H21N3O4S2 (isomer)
Names and Identifiers
Synonyms

1- -5-mercapto-1h-tetrazole 1-(3,4-dichlorophenyl)-1,2-dihydro-5h-tetrazole-5-thione 1-(3,4-Dichlorophenyl)-1H-tetrazole-5-thiol 1-(3,4-dichlorophenyl)-2h-1,2,3,4-tetrazole-5-thione 1-(3,4-dichlorophenyl)-2-tetrazoline-5-thione 1-(3,4-dichlorophenyl)tetrazole-5-thiol 1-(m,p-dichlorophenyl)-1,2-dihydro-5h-tetrazole-5-thione 1h-tetrazole-5-thiol, 1-(3,4-dichlorophenyl)- A834472 CHEMBL226654 DTXSID3069982 einecs 264-414-5 FT-0605577 HE023509 HE287816 HE370521 KB-146847 mfcd02684060 SCHEMBL1250656 SCHEMBL15251821 ZINC2583817

Inchi
InChI=1S/C20H38O4/c1-5-9-11-17(7-3)15-23-19(21)13-14-20(22)24-16-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3
InChkey
WMNULTDOANGXRT-UHFFFAOYSA-N
Canonical Smiles
CCCCC(CC)COC(=O)CCC(=O)OCC(CC)CCCC
Properties
Appearance
White to slight-yellowish fibrous crystalline powder
Density
1.283
Vapour
2.46E-05mmHg at 25°C
Refractive Index
1.448 
Flash Point
304.7°C
Solubility
Solubility (1% in EtOH) clear, slight-yellowish, no residue
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:342.52g/mol
  • Molecular Formula:C16H21N3O4S2
  • Compound Is Canonicalized:True
  • Exact Mass:342.277
  • Monoisotopic Mass:342.277
  • Complexity:296
  • Rotatable Bond Count:17
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:24
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAADQCggAICCAAABAAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAACAAAEAAAAAAHDwAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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