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Home> Hot Product Listed T   > Troponin I
606132-26-7 structure

Troponin I

Iupac Name:N-butyl-2-[2-(4-methylphenyl)quinazolin-4-yl]sulfanylacetamide
CAS No.:606132-26-7
Molecular Weight:365.495
Molecular Formula:C6H5NO2S (isomer)
Names and Identifiers
Synonyms

I troponins Troponin 1 Troponins,I

Inchi
InChI=1S/C21H23N3OS/c1-3-4-13-22-19(25)14-26-21-17-7-5-6-8-18(17)23-20(24-21)16-11-9-15(2)10-12-16/h5-12H,3-4,13-14H2,1-2H3,(H,22,25)
InChkey
RWXRCMADLVAFJX-UHFFFAOYSA-N
Canonical Smiles
CCCCNC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C
Properties
Appearance
lyophilized powder
Boiling Point
151.7 ºC at 760 mmHg
Flash Point
166.8 °C
Solubility
Urea/Tris buffer (20 mM Tris, HCl, 7.5, 7 M urea, 5 mM EDTA, 15 mM 2-mercaptoethanol) (1 mg/ml)
Storage temp
−20°C
Computational chemical data
  • Molecular Weight:365.495g/mol
  • Molecular Formula:C6H5NO2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:5.3
  • Exact Mass:365.156
  • Monoisotopic Mass:365.156
  • Complexity:439
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Heavy Atom Count:26
  • 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
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