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Home > Encyclopedia > Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester

Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester

Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester structure

Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester 

structure
  • CAS No:

    85716-87-6

  • Formula:

    C12H13NO2S2

  • Chemical Name:

    Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester

  • Synonyms:

    Benzo[b]thiophene-3-carboxylic acid,4,5,6,7-tetrahydro-2-isothiocyanato-,ethyl ester;Ethyl 4,5,6,7-tetrahydro-2-isothiocyanatobenzo[b]thiophene-3-carboxylate;Ethyl 2-isothiocyanato-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate;2-Isothiocyanato-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester

Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester Basic Attributes

267.37

267.37

DTXSID30381495

Characteristics

46-47 °C @ Solvent: Hexane

178 °C

Safety Information

IRRITANT

Xi

Computed Properties

Molecular Weight:267.4
XLogP3:4.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:267.03877100
Monoisotopic Mass:267.03877100
Topological Polar Surface Area:99
Heavy Atom Count:17
Complexity:341
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of Benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-isothiocyanato-, ethyl ester

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