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Home > Encyclopedia > 3-methylbenzoyl isothiocyanate

3-methylbenzoyl isothiocyanate

3-methylbenzoyl isothiocyanate structure

3-methylbenzoyl isothiocyanate 

structure
  • CAS No:

    28115-86-8

  • Formula:

    C9H7NOS

  • Chemical Name:

    3-methylbenzoyl isothiocyanate

  • Synonyms:

    3-Methylbenzoyl isothiocyanate;28115-86-8;3-methyl-1-benzenecarbonyl isothiocyanate;Benzoyl isothiocyanate, 3-methyl-;3-Methylbenzoyl isothiocyanate,;SCHEMBL3049569;DTXSID60182391;ZINC2528092;MFCD00060378;AKOS009075564;FS-4686;isothiocyanato-(3-methylphenyl)methanone;BP-12964;DB-047339;FT-0638759;Y-9853;A819326;J-016974

3-methylbenzoyl isothiocyanate Basic Attributes

177.22 g/mol

177.02483502 g/mol

DTXSID60182391

Characteristics

61.5 Ų

Safety Information

|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:177.22
XLogP3:4.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:177.02483502
Monoisotopic Mass:177.02483502
Topological Polar Surface Area:61.5
Heavy Atom Count:12
Complexity:221
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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