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Home> Hot Product Listed T   > T6598474
91793-77-0 structure

T6598474

Iupac Name:3-[phenyl-(2-sulfanylidene-1,3-thiazolidin-3-yl)phosphoryl]-1,3-thiazolidine-2-thione
CAS No.:91793-77-0
Molecular Weight:360.463
Molecular Formula:C21H24N2O2S (isomer)
Names and Identifiers
Synonyms

CHEMBL3467166 MCULE-7917316142 MOLPORT-009-560-286 n-[1-(4-cyanophenyl)ethyl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide Z556841540

Inchi
InChI=1S/C12H13N2OPS4/c15-16(10-4-2-1-3-5-10,13-6-8-19-11(13)17)14-7-9-20-12(14)18/h1-5H,6-9H2
InChkey
YWEUDNVMTVOJRC-UHFFFAOYSA-N
Canonical Smiles
C1CSC(=S)N1P(=O)(C2=CC=CC=C2)N3CCSC3=S
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:360.463g/mol
  • Molecular Formula:C21H24N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:359.965
  • Monoisotopic Mass:359.965
  • Complexity:436
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:138A^2
  • Heavy Atom Count:20
  • 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: AAADccBzIAJwAAAAAAAAAAAAAAAAAWLAAAAwAAAAAAAAAAABAAAAHAwAgCAACADFUASwAIIAAAiE QCBCAAACAABgABgIiAAIAIgIICKAERCAIAAggAAIiAcAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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