Thianthrene

  • Identifiers

    CAS number
    92-85-3

    Molecular formula
    C12H8S2

    SMILES
    C1=CC=C2C(=C1)SC3=CC=CC=C3S2

  • Odor profile

    meaty 69.97%
    sulfurous 68.7%
    burnt 55.33%
    roasted 45.31%
    mushroom 42.94%
    earthy 40.01%
    cooked 34.17%
    coffee 33.36%
    garlic 32.27%
    smoky 32.12%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6 Well soluble in BB, DEP, IPM

    Molecular weight
    216.3 g/mol

  • Synonyms

    • THIANTHRENE
    • 92-85-3
    • Thianthren
    • Thiaanthrene
    • 9,10-Dithiaanthracene
    • diphenylene disulphide
    • dibenzo-1,4-dithiin
    • DIPHENYLENE DISULFIDE
    • DIBENZODITHIODIOXANE
    • CHEBI:64511
    • NSC 439
    • NSC-439
    • EINECS 202-197-0
    • MFCD00005065
    • 4139V9M46H
    • AI3-00638
    • NSC439
    • DTXSID6059071
    • C12H8S2
    • Thianthrene, 97%
    • 9,10Dithiaanthracene
    • Thianthrene (Standard)
    • SCHEMBL7786
    • CHEMBL488176
    • DTXCID4048779
    • UNII-4139V9M46H
    • HY-W014120R
    • AC7909
    • AKOS000279684
    • CS-W014836
    • DS-4155
    • HY-W014120
    • NCGC00341178-01
    • AC-16498
    • SY051640
    • DB-057337
    • NS00041440
    • T0184
    • EN300-20686
    • AB00990919-01
    • AB00990919-03
    • AE-641/04637003
    • Q424898
    • CU-00000000457-1
    • Z104479794
    • InChI=1/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8
    • 202-197-0
1 4

Botanical

Name CAS Botanical Proportion
Porophyllum ruderale (Brazil) 1b root Porophyllum ruderale Sass, fam. Asteraceae (Compositae) 14.1%