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Home> Hot Product Listed T   > T6441533
1011-41-2 structure

T6441533

Iupac Name:2-morpholin-4-yl-1,3-thiazole-5-carbaldehyde
CAS No.:1011-41-2
Molecular Weight:198.24
Molecular Formula:C22H17N3O3S2 (isomer)
Names and Identifiers
Synonyms

1-(4-iodophenyl)-3-[3-(propan-2-yloxy)propyl]urea AB01006611-01 AKOS029986316 MCULE-5998624439 MOLPORT-009-427-543 Z409803676 ZINC40023848

Inchi
InChI=1S/C8H10N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5-6H,1-4H2
InChkey
VDZWHWVAMDQEBT-UHFFFAOYSA-N
Canonical Smiles
C1COCCN1C2=NC=C(S2)C=O
Properties
Melting Point
162.5-164.5℃
Vapour
1.45E-05mmHg at 25°C
Refractive Index
1.614
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:198.24g/mol
  • Molecular Formula:C22H17N3O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:198.046
  • Monoisotopic Mass:198.046
  • Complexity:185
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:70.7A^2
  • Heavy Atom Count:13
  • 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: AAADccBzMABAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHgQAAAAACADh0gYtkRMIFAis ABh35AAA8KlVCDhBUA0oQECCAAhACQAHAIAIAALQAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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