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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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Items 1-12 of 22

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  1. Thioxanthene
      Grade & Purity: 
    • ≥98%
    Cas Number: 261-31-4        Compound CID:  67495
    Formula:  C13H10S        Molecular Weight: 198.29
    IUPAC Name:  9H-thioxanthene
    SMILES:  C1C2=CC=CC=C2SC3=CC=CC=C31
    InChIKey: PQJUJGAVDBINPI-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H10S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
  2. Pimethixene
      Grade & Purity: 
    • ≥98%
    Cas Number: 314-03-4
    Formula:  C19H19NS        Molecular Weight: 293.43
    IUPAC Name:  1-methyl-4-thioxanthen-9-ylidenepiperidine
    SMILES:  CN1CCC(=C2C3=CC=CC=C3SC4=CC=CC=C42)CC1
    InChIKey: NZLVRVYNQYGMAB-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H19NS/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19/h2-9H,10-13H2,1H3
  3. 3,6-Diamino-9H-Thioxanthene 10,10-Dioxide
      Grade & Purity: 
    • ≥97%
    Cas Number: 10215-25-5        EC Number: 233-527-1        Compound CID:  82456
    IUPAC Name:  10,10-dioxo-9H-thioxanthene-3,6-diamine
    SMILES:  C1C2=C(C=C(C=C2)N)S(=O)(=O)C3=C1C=CC(=C3)N
    InChIKey: UPVRZVIJGVFROW-UHFFFAOYSA-N
    InChI:  InChI=1S/C13H12N2O2S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)18(16,17)12(8)6-10/h1-4,6-7H,5,14-15H2
  4. Thiothixene hydrochloride
    Cas Number: 22189-31-7
    Formula:  C23H35Cl2N3O4S2        Molecular Weight: 552.6
    IUPAC Name:  (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide;dihydrate;dihydrochloride
    SMILES:  CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.O.O.Cl.Cl
    InChIKey: MEUAAEMCZUPORO-LRSHZYOCSA-N
    InChI:  InChI=1S/C23H29N3O2S2.2ClH.2H2O/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26;;;;/h4-5,7-11,17H,6,12-1show more
    Synonyms: Thiothixene dihydrochloride dihydrate | Thiothixene hydrochloride (TN) | (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-...
  5. trans-flupenthixol
    Cas Number: 53772-85-3
    Formula:  C23H25F3N2OS        Molecular Weight: 434.5g/mol
    IUPAC Name:  2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
    SMILES:  OCCN1CCN(CC1)CC/C=C/1\c2ccccc2Sc2c1cc(cc2)C(F)(F)F
    InChIKey: NJMYODHXAKYRHW-BLLMUTORSA-N
    InChI:  InChI=1S/C23H25F3N2OS/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/b18-5+
    Synonyms: FLUPENTIXOLE | trans-(E)-Flupentixol | trans-flupenthixol | Flupentiol | FLUPENTHIXOL | Flupentixol | Flupentixol, (E...
  6. methixene
    IUPAC Name:  1-methyl-3-(9H-thioxanthen-9-ylmethyl)piperidine
    SMILES:  CN1CCCC(C1)CC1c2ccccc2Sc2c1cccc2
    InChIKey: MJFJKKXQDNNUJF-UHFFFAOYSA-N
    InChI:  InChI=1S/C20H23NS/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
    Synonyms: BPBio1_000421 | NCIOpen2_008789 | Piperidine, 1-methyl-3-(9H-thioxanthen-9-ylmethyl)- | Trest | UNII-32VY6L26ZW | 1-M...
  7. flupentixol
    Cas Number: 53772-82-0        EC Number: 220-304-9, 258-756-4, 637-103-0
    IUPAC Name:  2-[4-[(3Z)-3-[2-(Trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
    SMILES:  C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO
    InChIKey: NJMYODHXAKYRHW-DVZOWYKESA-N
    InChI:  InChI=1S/C23H25F3N2OS/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/b18-5-
    Synonyms: 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazino]ethanol;hydrochloride | SCHEMBL34200 | Z-FLU...
  8. BF-1
    Cas Number: 518980-66-0        Compound CID:  10287037
    Formula:  C22H25NO2S        Molecular Weight: 367.50
    IUPAC Name:  4-(6-ethoxy-1-methoxythioxanthen-9-ylidene)-1-methylpiperidine
    SMILES:  CCOc1ccc2c(c1)Sc1c(C2=C2CCN(CC2)C)c(OC)ccc1
    InChIKey: ANZVBVKYXOGOQC-UHFFFAOYSA-N
    InChI:  InChI=1S/C22H25NO2S/c1-4-25-16-8-9-17-20(14-16)26-19-7-5-6-18(24-3)22(19)21(17)15-10-12-23(2)13-11-15/h5-9,14H,4,10-13H2,1-3H3
    Synonyms: BF-1|518980-66-0|Piperidine, 4-(6-ethoxy-1-methoxy-9H-thioxanthen-9-ylidene)-1-methyl-|366ZW99DGL|UNII-366ZW99DGL|4-(...
  9. Thiothixene
    Cas Number: 3313-26-6        Compound CID:  941651
    Formula:  C23H29N3O2S2        Molecular Weight: 443.63
    IUPAC Name:  (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
    SMILES:  CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
    InChIKey: GFBKORZTTCHDGY-UWVJOHFNSA-N
    InChI:  InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-show more
    Synonyms: DTXCID203658 | MLS000028463 | NSC108165 | NSC-108165 | thiothixene | (9Z)-N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)p...
  10. cis-(Z)-Flupentixol Dihydrochloride
      Grade & Purity: 
    • 10mM in DMSO
    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: 51529-01-2|Emergil|Flupenthixol dihydrochloride|cis-(Z)-Flupenthixol dihydrochloride|2413-38-9|FLUPENTIXOL DIHYDROCHL...
  11. Thiothixene
    Cas Number: 3313-26-6        Compound CID:  941651
    Formula:  C23H29N3O2S2        Molecular Weight: 443.63
    IUPAC Name:  (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
    SMILES:  CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C
    InChIKey: GFBKORZTTCHDGY-UWVJOHFNSA-N
    InChI:  InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-show more
    Synonyms: thiothixene|cis-Thiothixene|Tiotixene|(Z)-Thiothixene|Navane|3313-26-6|Thiothixine|Orbinamon|Tiotixeno|Tiotixenum|Tio...
  12. Flupenthixol dihydrochloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 2413-38-9        Compound CID:  5282483
    Formula:  C23H25F3N2OS.2HCl        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...
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