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Home > Encyclopedia > 3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile structure

3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile 

structure
  • CAS No:

    332110-25-5

  • Formula:

    C18H12N4O4S3

  • Chemical Name:

    3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

  • Synonyms:

    4-Isothiazolecarbonitrile,3,5-bis[[(4-nitrophenyl)methyl]thio]-;3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile Basic Attributes

444.5 g/mol

444.51

Characteristics

207 Ų

Safety Information

|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:444.5
XLogP3:5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:444.00206840
Monoisotopic Mass:444.00206840
Topological Polar Surface Area:207
Heavy Atom Count:29
Complexity:619
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 3,5-Bis[[(4-nitrophenyl)methyl]thio]-4-isothiazolecarbonitrile

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