2-methylbenzoyl isothiocyanate
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2-methylbenzoyl isothiocyanate
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CAS No:
28115-85-7
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Formula:
C9H7NOS
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Chemical Name:
2-methylbenzoyl isothiocyanate
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Synonyms:
2-Methylbenzoyl isothiocyanate;28115-85-7;2-methyl-1-benzenecarbonyl isothiocyanate;Benzoyl isothiocyanate,2-methyl-;SCHEMBL1135687;DTXSID00182390;ZINC2528091;MFCD00060377;AKOS005202601;2-METHYL BENZOYL ISOTHIOCYANATE;FS-4483;BP-10131;DB-021375;FT-0638758;Y-8770;J-016973
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CAS No:
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
XLogP3:4.2
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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