Cas no 4695-61-8 (2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE)

2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE structure
4695-61-8 structure
Product Name:2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE
CAS No:4695-61-8
MF:C18H18ClNS
MW:315.86022233963
CID:930620
PubChem ID:2729
Update Time:2025-04-19

2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE Chemical and Physical Properties

Names and Identifiers

    • 2-CHLORO-9-(3-DIMETHYLAMINOPROPYLIDENE)THIOXANTHENE
    • (Z)-chlorprothixene
    • 2-CHLORO-9-(3-DIMETHYLAMINOPROPYLDENE)THIOXANTHENE
    • 2-CHLORO-9-(3-DIMETHYLAMIONOPROPYLDENE)THIOXANTHENE
    • 2-Chloro-9-[3-(dimethylamino)propylidene]-9H-thioxanthene
    • 2-chloroprotixene
    • Chlorprothixen
    • cis-chlorprothixene
    • clorprotixene
    • trans-Chlorprothixene
    • KBioGR_000998
    • KBio1_000143
    • NCI60_004376
    • NCIStruc1_001079
    • NCIOpen2_008709
    • (Z)-3-(2-Chlorothioxanthen-9-ylidene)-NN-dimethylpropylamine
    • KBio2_007052
    • NCIOpen2_008054
    • KBio2_004484
    • (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
    • 4695-61-8
    • 113-59-7 (free base)
    • AB07571
    • DivK1c_000143
    • WSPOMRSOLSGNFJ-UHFFFAOYSA-N
    • SPBio_002336
    • 2-chloro-9-(3-dimethylaminopropylidene)-thioxanthene
    • Spectrum2_000857
    • 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine
    • NINDS_000143
    • 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-
    • KBio3_002568
    • Prestwick0_000348
    • Chlorprothixene free base
    • KBio2_001916
    • NCIOpen2_008749
    • SW196895-3
    • s12368
    • SPBio_000873
    • DTXSID30859205
    • Prestwick1_000348
    • HMS3651C19
    • KBioSS_001916
    • Spectrum4_000729
    • 3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
    • Oprea1_572513
    • Spectrum3_001564
    • Spectrum_001436
    • NCIStruc2_001491
    • Inchi： 1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3
    • InChI Key： WSPOMRSOLSGNFJ-UHFFFAOYSA-N
    • SMILES： ClC1C=CC2=C(C=1)C(=CCCN(C)C)C1C=CC=CC=1S2

Computed Properties

  • Exact Mass: 351.06200
  • Monoisotopic Mass: 315.0848484g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 381
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 5.2
  • Topological Polar Surface Area: 28.5?2

Experimental Properties

  • PSA: 28.54000
  • LogP: 5.99000

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