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Home> Hot Product Listed T   > Thieno[3,2-d]pyrimidine-4(3H)-thione
1120-28-1 structure

Thieno[3,2-d]pyrimidine-4(3H)-thione

Iupac Name:methyl icosanoate
CAS No.:1120-28-1
Molecular Weight:326.55698
Molecular Formula:C32H16CL2N8TI (isomer)
Names and Identifiers
Synonyms

Thieno[3,2-d]pyrimidine-4-thiol

Inchi
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
InChkey
QGBRLVONZXHAKJ-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCCCCCCCCC(=O)OC
Properties
Melting Point
45-48 °C(lit.)
Vapour
8.02E-06mmHg at 25°C
Refractive Index
1.446
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:326.55698g/mol
  • Molecular Formula:C32H16CL2N8TI
  • XLogP3-AA:10.1
  • Exact Mass:326.318481
  • Monoisotopic Mass:326.318481
  • Complexity:238
  • Rotatable Bond Count:19
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3
  • Heavy Atom Count:23
  • 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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