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Home> Hot Product Listed N   > N-(4-hydroxyphenyl)-N'-phenylthiourea
850144-85-3 structure

N-(4-hydroxyphenyl)-N'-phenylthiourea

Iupac Name:2-[(4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CAS No.:850144-85-3
Molecular Weight:374.297
Molecular Formula:C10H12O (isomer)
Names and Identifiers
Synonyms

4-Hydroxythiocarbanilide PTU-24

Inchi
InChI=1S/C13H19IN2OSi/c1-18(2,3)9-8-17-10-16-7-5-11-12(14)4-6-15-13(11)16/h4-7H,8-10H2,1-3H3
InChkey
NBXVGVAXMSXJIA-UHFFFAOYSA-N
Canonical Smiles
C[Si](C)(C)CCOCN1C=CC2=C(C=CN=C21)I
Properties
Boiling Point
395.889°C at 760 mmHg
Computational chemical data
  • Molecular Weight:374.297g/mol
  • Molecular Formula:C10H12O
  • Compound Is Canonicalized:True
  • Exact Mass:374.031
  • Monoisotopic Mass:374.031
  • Complexity:272
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:27A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzIAgAAgAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB+AAAHhAgAAAADADjuwZ/sN8MFAGg AjJnZACCgCkxAqAJ2CA4ZJiIKOLAmJGMIAhogALIyCcQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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