1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone
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1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone
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CAS No:
7762-93-8
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Formula:
C16H15N3O2S
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Chemical Name:
1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone
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Synonyms:
1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone;AN-329/40357688;MLS000702620;ARONIS019125;CHEMBL3213241;DTXSID50425961;STK024795;AKOS000486255;SMR000228665;(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-N-(3-methylphenyl)hydrazinecarbothioamide
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CAS No:
1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone Basic Attributes
313.379
313.088498
DTXSID50425961
Safety Information
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, 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:313.4
XLogP3:3.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:313.08849790
Monoisotopic Mass:313.08849790
Topological Polar Surface Area:87
Heavy Atom Count:22
Complexity:418
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-benzodioxole-5-carbaldehyde N-(3-methylphenyl)thiosemicarbazone
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