Cas no 6970-40-7 (Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI))

Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI) structure
6970-40-7 structure
Product Name:Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI)
CAS No:6970-40-7
MF:C15H14N4O2S
MW:314.362261295319
CID:504231
PubChem ID:135460538
Update Time:2025-04-19

Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI)
    • 1,3-bis[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]thiourea
    • 1,3-bis[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea
    • AC1NS8WL
    • AG-G-71645
    • Bis-(4-hydroxy-benzyliden)-thiocarbonohydrazid
    • bis-(4-hydroxy-benzylidene)-thio carbonohydrazide
    • CTK2F3304
    • CTK9A1585
    • NSC54169
    • REGID_for_CID_663466
    • T5267398
    • 6970-40-7
    • SR-01000056009
    • 1,3-bis[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]thiourea
    • SMR000242802
    • SR-01000056009-1
    • cid_5356282
    • BDBM47607
    • DTXSID30418093
    • Z49849036
    • 1,3-bis[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]thiourea
    • CHEMBL2007273
    • MLS000394713
    • 1,3-bis[(E)-(4-hydroxyphenyl)methylideneamino]thiourea
    • REGID_for_CID_5356282
    • Inchi： 1S/C15H14N4O2S/c20-13-5-1-11(2-6-13)9-16-18-15(22)19-17-10-12-3-7-14(21)8-4-12/h1-10,20-21H,(H2,18,19,22)/b16-9+,17-10+
    • InChI Key： UHYBPVHQQAQPBP-CZCYGEDCSA-N
    • SMILES： S=C(N/N=C/C1C=CC(=CC=1)O)N/N=C/C1C=CC(=CC=1)O

Computed Properties

  • Exact Mass: 314.08392
  • Monoisotopic Mass: 314.08374688g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 364
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 121?2

Experimental Properties

  • PSA: 87.46

Carbonothioicdihydrazide, bis[(4-hydroxyphenyl)methylene]- (9CI) Related Literature

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