Cas no 31090-81-0 (Thiourea,N-(3-methoxyphenyl)-N'-phenyl-)

Thiourea,N-(3-methoxyphenyl)-N'-phenyl- structure
31090-81-0 structure
Product Name:Thiourea,N-(3-methoxyphenyl)-N'-phenyl-
CAS No:31090-81-0
MF:C14H14N2OS
MW:258.338761806488
CID:317642
PubChem ID:698360
Update Time:2025-04-19

Thiourea,N-(3-methoxyphenyl)-N'-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Thiourea,N-(3-methoxyphenyl)-N'-phenyl-
    • 1-(3-methoxyphenyl)-3-phenyl-2-propene-1-one
    • 1-(3-Methoxyphenyl)-3-phenyl-2-propenon
    • 1-(3-methoxyphenyl)-3-phenylpropenone
    • 1-(3-Methoxyphenylen)-3-methyl-pyrazolon-(5)
    • 2-(3-methoxy-phenyl)-5-methyl-1,2-dihydro-pyrazol-3-one
    • 3H-Pyrazol-3-one, 2,4-dihydro-2-(3-methoxyphenyl)-5-methyl-
    • 3'-methoxychalcone
    • 6-methoxy-2-phenyl-4H-chromen-4-one
    • CTK2E9062
    • N-(m-methoxyphenyl)-N'-phenylthiourea
    • p-methoxychalcone
    • SureCN4662941
    • 1-(3-methoxyphenyl)-3-phenylthiourea
    • DTXSID50351357
    • AKOS000487694
    • TimTec1_001492
    • HMS1538D18
    • Oprea1_485962
    • NSC-191425
    • 3-Methoxythiocarbanilide
    • 1-(3-methoxyphenyl)-3-phenyl-thiourea
    • NSC191425
    • NCGC00174374-01
    • 31090-81-0
    • Inchi: 1S/C14H14N2OS/c1-17-13-9-5-8-12(10-13)16-14(18)15-11-6-3-2-4-7-11/h2-10H,1H3,(H2,15,16,18)
    • InChI Key: QZSMRTKLSHKPEV-UHFFFAOYSA-N
    • SMILES: S=C(NC1C=CC=CC=1)NC1C=CC=C(C=1)OC

Computed Properties

  • Exact Mass: 258.08282
  • Monoisotopic Mass: 258.083
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 65.4?2

Experimental Properties

  • Density: 1.28
  • Boiling Point: 383°Cat760mmHg
  • Flash Point: 185.5°C
  • Refractive Index: 1.712
  • PSA: 33.29
  • LogP: 3.65010
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