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1-benzothiopyrans

Description:

Organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 1-position.
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  1. Chlorprothixene hydrochloride
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 6469-93-8        Compound CID:  5282478
    Formula:  C18H18ClNS·HCl        Molecular Weight: 352.32
    IUPAC Name:  (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
    SMILES:  CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
    InChIKey: YWKRLOSRDGPEJR-KIUKIJHYSA-N
    InChI:  InChI=1S/C18H18ClNS.ClH/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;1H/b14-7-;
    Synonyms: CHLORPROTHIXENE HYDROCHLORIDE [JAN] | D02162 | DTXSID701017267 | AKOS024374911 | (E)-2-Chloro-9-(3-dimethylaminopropy...
  2. Chlorprothixene
    Cas Number: 113-59-7
    Formula:  C18H18ClNS        Molecular Weight: 315.86
    IUPAC Name:  (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
    SMILES:  CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
    InChIKey: WSPOMRSOLSGNFJ-AUWJEWJLSA-N
    InChI:  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/b14-7-
    Synonyms: Chlorprothixene 100 microg/mL in Acetonitrile | NCGC00166133-01 | CCG-36988 | Chlorprotixene | BRD-K81091703-003-01-0...
  3. 2-Bromo-9H-thioxanthen-9-one 10,10-dioxide
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 20077-15-0
    Formula:  C13H7BrO3S       
    IUPAC Name:  2-bromo-10,10-dioxothioxanthen-9-one
    SMILES:  C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)Br
    InChIKey: PIPWXKDJFFRUES-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H7BrO3S/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)18(12,16)17/h1-7H
    Synonyms: NSC252144 | NSC-252144 | 2-bromo-10,10-dioxo-10lambda6-thioxanthen-9-one | 2-bromo-10,10-dioxothioxanthen-9-one | 2-b...
  4. 3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate
      Grade & Purity: 
    • ≥98%
    Cas Number: 7081-40-5
    Formula:  C20H26ClNOS        Molecular Weight: 363.95
    IUPAC Name:  1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine;hydrate;hydrochloride
    SMILES:  CN1CCCC(C1)CC2C3=CC=CC=C3SC4=CC=CC=C24.O.Cl
    InChIKey: RAOHHYUBMJLHNC-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2
    Synonyms: 7081-40-5|Methixene hydrochloride|3-((9H-Thioxanthen-9-yl)methyl)-1-methylpiperidine hydrochloride hydrate|Methixene ...
  5. cis-(Z)-Flupentixol Dihydrochloride
      Grade & Purity: 
    • ≥98%(HPLC)
    Cas Number: 51529-01-2        Compound CID:  5282483
    Formula:  C23H27Cl2F3N2OS        Molecular Weight: 507.44
    IUPAC Name:  2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride
    SMILES:  C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
    InChIKey: IOVDQEIIMOZNNA-MHKBYHAFSA-N
    InChI:  InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*show more
    Synonyms: 1-PIPERAZINEETHANOL, 4-((3Z)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-, DIHYDROCHLORIDE | s3664 | (E/Z...
  6. 10-[1,1'-Biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-9H-thioxanthenium hexafluorophosphate
      Grade & Purity: 
    • ≥95%
    Cas Number: 591773-92-1        Compound CID:  11857386
    Formula:  C28H23F6OPS        Molecular Weight: 552.511
    IUPAC Name:  10-(4-phenylphenyl)-2-propan-2-ylthioxanthen-10-ium-9-one;hexafluorophosphate
    SMILES:  CC(C)C1=CC2=C(C=C1)[S+](C3=CC=CC=C3C2=O)C4=CC=C(C=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F
    InChIKey: UHKYZKDZFIFLBK-UHFFFAOYSA-N
    InChI:  InChI=1S/C28H23OS.F6P/c1-19(2)22-14-17-27-25(18-22)28(29)24-10-6-7-11-26(24)30(27)23-15-12-21(13-16-23)20-8-4-3-5-9-20;1-7(2,3,4,5)6/h3-19H,1-2H3;/q+1show more
    Synonyms: 591773-92-1|9H-Thioxanthenium, 10-[1,1'-biphenyl]-4-yl-2-(1-methylethyl)-9-oxo-, hexafluorophosphate(1-) (1:1)|10-(4-...
  7. KU-60019
    Cas Number: 925701-49-1
    Formula:  C30H33N3O5S        Molecular Weight: 547.68
    IUPAC Name:  2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide
    SMILES:  CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6
    InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-N
    InChI:  InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3show more
    Synonyms: KU-60019, >=98% (HPLC) | SW219699-1 | 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-...
  8. KU 60019
      Grade & Purity: 
    • ≥98%
    Cas Number: 925701-46-8
    Formula:  C30H33N3O5S        Molecular Weight: 547.67
    IUPAC Name:  2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-9H-thioxanthen-2-yl]acetamide
    SMILES:  CC1CN(CC(O1)C)CC(=O)NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(=O)C=C(O5)N6CCOCC6
    InChIKey: SCELLOWTHJGVIC-BGYRXZFFSA-N
    InChI:  InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3show more
    Synonyms: KU-60019, >=98% (HPLC) | SW219699-1 | 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[5-(6-morpholin-4-yl-4-oxopyran-2-yl)-...
  9. Zuclopenthixol
    Cas Number: 53772-83-1        Compound CID:  5311507
    Formula:  C22H25ClN2OS        Molecular Weight: 400.96
    IUPAC Name:  2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
    SMILES:  C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
    InChIKey: WFPIAZLQTJBIFN-DVZOWYKESA-N
    InChI:  InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-
    Synonyms: 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol;hydrochloride | DB13841 | cis-Clopenthixol ...
  10. Chlorprothixene hydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 6469-93-8        Compound CID:  5282478
    Formula:  C18H18ClNS·HCl        Molecular Weight: 352.32
    IUPAC Name:  (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
    SMILES:  CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl
    InChIKey: YWKRLOSRDGPEJR-KIUKIJHYSA-N
    InChI:  InChI=1S/C18H18ClNS.ClH/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;1H/b14-7-;
    Synonyms: CHLORPROTHIXENE HYDROCHLORIDE [JAN] | D02162 | DTXSID701017267 | AKOS024374911 | (E)-2-Chloro-9-(3-dimethylaminopropy...
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