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1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea

Base Information
  • Chemical Name:1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
  • CAS No.:5280-20-6
  • Molecular Formula:C13H12N4O2S2
  • Molecular Weight:320.39
  • Hs Code.:
  • DSSTox Substance ID:DTXSID90416277
  • ChEMBL ID:CHEMBL1993788
1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea

Synonyms:MLS000553380;5280-20-6;SMR000175434;1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea;AN-329/40196601;1-(m-tolyl)-3-[(5-nitro-2-thienyl)methyleneamino]thiourea;cid_693266;CHEMBL1993788;BDBM79985;DTXSID90416277;LDIYKAIBQSIQBY-RIYZIHGNSA-N;5-nitro-2-thiophenecarbaldehyde N-(3-methylphenyl)thiosemicarbazone;STK059418;AKOS000483260;AB00078936-01;5-nitrothiophene-2-carbaldehyde N-(3-methylphenyl)thiosemicarbazone;1-(3-methylphenyl)-3-[(5-nitro-2-thiophenyl)methylideneamino]thiourea;1-(3-methylphenyl)-3-[(5-nitrothiophen-2-yl)methylideneamino]thiourea;(2E)-N-(3-methylphenyl)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinecarbothioamide

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Chemical Property of 1-(3-methylphenyl)-3-[(E)-(5-nitrothiophen-2-yl)methylideneamino]thiourea
Chemical Property:
  • Vapor Pressure:3.23E-09mmHg at 25°C 
  • Boiling Point:475.8°C at 760 mmHg 
  • Flash Point:241.5°C 
  • Density:1.41g/cm3 
  • XLogP3:3.7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Rotatable Bond Count:3
  • Exact Mass:320.04016799
  • Heavy Atom Count:21
  • Complexity:414
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC1=CC(=CC=C1)NC(=S)NN=CC2=CC=C(S2)[N+](=O)[O-]
  • Isomeric SMILES:CC1=CC(=CC=C1)NC(=S)N/N=C/C2=CC=C(S2)[N+](=O)[O-]
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