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Home> Hot Product Listed T   > T6460678
18009-07-9 structure

T6460678

Iupac Name:6-bromo-3-phenyl-2-sulfanylidene-1H-quinazolin-4-one
CAS No.:18009-07-9
Molecular Weight:333.203
Molecular Formula:C23H26CLNO6S (isomer)
Names and Identifiers
Synonyms

3,4-dimethyl-n-{1-[(oxolan-2-yl)methyl]-1h-pyrazol-4-yl}benzene-1-sulfonamide MCULE-6767017388 MOLPORT-009-067-464 Z444969248

Inchi
InChI=1S/C14H9BrN2OS/c15-9-6-7-12-11(8-9)13(18)17(14(19)16-12)10-4-2-1-3-5-10/h1-8H,(H,16,19)
InChkey
VYQBHLQJGGBSDC-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S
Properties
Vapour
5.43E-09mmHg at 25°C
Refractive Index
1.78
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:333.203g/mol
  • Molecular Formula:C23H26CLNO6S
  • Compound Is Canonicalized:True
  • Exact Mass:331.962
  • Monoisotopic Mass:331.962
  • Complexity:384
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:19
  • 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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