Benzothiazole

  • Identifiers

    CAS mumber
    95-16-9

    Molecular formula
    C7H5NS

    SMILES
    C1=CC=C2C(=C1)N=CS2

    Retention indicies (RI)

    • DB5: 1233.0
    • Carbowax: 1950.67

  • Properties

    XLogP3-AA
    2.0 Well soluble in DEP, MMB, TEC

    Molecular weight
    135.19 g/mol

    Melting points

    • 2 °C
    • 2 °C

    Boiling points

    • 227-228 °C AT 765 MM HG
    • 231.00 to 233.00 °C. @ 760.00 mm Hg

    Solubilities

    • SLIGHTLY SOL IN WATER; SOL IN ALC, CARBON DISULFIDE
    • Very soluble in ether, soluble in acetone, slightly soluble in water.
    • 4.3 mg/mL at 25 °C
    • Very slightly soluble in water; Soluble in acetone, carbon disulfide
    • Miscible at room temperature (in ethanol)

  • Synonyms

    • BENZOTHIAZOLE
    • 95-16-9
    • BENZO[D]THIAZOLE
    • 1,3-Benzothiazole
    • Benzosulfonazole
    • 1-Thia-3-azaindene
    • Vangard BT
    • benzothiazol
    • USAF EK-4812
    • FEMA No. 3256
    • FEMA Number 3256
    • CHEBI:45993
    • CCRIS 7893
    • O-2857
    • HSDB 2796
    • NSC 8040
    • EINECS 202-396-2
    • UNII-G5BW2593EP
    • MFCD00005775
    • BRN 0109468
    • G5BW2593EP
    • DTXSID7024586
    • AI3-05742
    • NSC-8040
    • BENZOTHIAZOLE [MI]
    • BENZOTHIAZOLE [FHFI]
    • BENZOTHIAZOLE [HSDB]
    • DTXCID204586
    • EC 202-396-2
    • 4-27-00-01069 (Beilstein Handbook Reference)
    • BT
    • BENZO(D)THIAZOLE
    • benzthiazole
    • CAS-95-16-9
    • s-benzothiazole
    • 1Thia3azaindene
    • Benzothiazole, 96%
    • 1,3-Benzothiazole #
    • Benzothiazole (Standard)
    • Epitope ID:138946
    • SCHEMBL8430
    • WLN: T56 BN DSJ
    • MLS001050134
    • Benzothiazole, >=96%, FG
    • CHEMBL510309
    • SCHEMBL9304593
    • NSC8040
    • Benzothiazole, analytical standard
    • HY-W012634R
    • MSK14683
    • Tox21_201853
    • Tox21_303232
    • BDBM50444460
    • LT0034
    • STL268890
    • AKOS000120178
    • AC-3297
    • CS-W013350
    • FS-4155
    • HY-W012634
    • NCGC00091399-01
    • NCGC00091399-02
    • NCGC00257070-01
    • NCGC00259402-01
    • 1ST14683
    • BOT
    • SMR001216577
    • MSK14683-1000
    • DB-057562
    • B0092
    • NS00000291
    • O2857
    • Benzothiazole, Vetec(TM) reagent grade, 96%
    • EN300-19148
    • Benzothiazole Solution in Methanol, 1000?g/mL
    • D77749
    • 1ST14683-1000
    • Benzothiazole Solution in Methanol, 1000mug/mL
    • AC-907/25014160
    • Q419096
    • F0001-2268
    • Z104472964
    • 202-396-2
1 3

Botanical

Name CAS Botanical Proportion
Seringat headspace Philadelphus coronarius L., fam. Oleaceae 1.0%
Rosa chinensis (headspace), China Rosa chinensis Jacq., fam. Rosaceae 2.81%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.02%
Osmanthus headspace (flowers) (China) 1 68917-05-5 Osmanthus fragrans (Thunb.) Lour., var. auranticus Makino, fam. Oleaceae 0.25%
Oenothera odorata flower headspace (China) Oenothera odorata Jacq., fam. Onagraceae 1.26%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.34%
Clerodendrum fragrans flower (China) Clerodendrum fragrans Vent., fam. Verbenaceae 0.2%
Nicotiana forgetiana flower Nicotiana forgetiana Hort. ex Hensley (subgenus Petunioides), Solanaceae 0.38%
Bouea macrophylla fruit (Malaysia) Bouea macrophylla Grif. (B. gandaria Blume x Miq., fam. Anacardiaceae 0.01%
Colocasia esculenta (Taro) Colocasia esculenta (L.) Schott, fam. Araceae 0.3%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.01%
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.08%
Geneps fruit (Cuba) Melicocca bijuga L., fam. Sapindaceae 0.01%
Soursop, wild fruit Annona montana Macf., fam. Annonaceae 0.01%