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3H-Benzothiazole-2-Thione
[CAS# 81605-65-4]

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Identification
Name 3H-Benzothiazole-2-Thione
Synonyms Hsdb 4025; Kaptax [Czech]; Zinc00074832
Molecular Structure CAS#: 81605-65-4, 3H-Benzothiazole-2-Thione
Molecular Formula C7H5NS2
Molecular Weight 167.24
CAS Registry Number 81605-65-4
SMILES C2=C1SC(NC1=CC=C2)=S
InChI 1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey YXIWHUQXZSMYRE-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
1.42 (Expl.)
Melting point 180°C (Expl.)
Boiling point 281.3±23.0°C at 760 mmHg (Cal.)
Flash point 123.9±22.6°C (Cal.)
243°C (Expl.)
solubility Soluble in alkali and alkali carbonate solutions
Safety Data
Safety Code S24;S37;S60;S61  Details
Risk Code R43;R50/53  Details
Hazard Symbol symbol  symbol  X;N  Details
Transport Information UN3077
Safety Description WARNING: May cause irritation, skin or lung sensitization.
WARNING: Irreversible damage risk, protect skin/eyes/lungs.
Safety glasses and gloves. Adequate ventilation.
References
(1) Jonathan A. R. Worrall and Erik Vijgenboom. Copper mining in Streptomyces: enzymes, natural products and development, Nat. Prod. Rep., 2010, 27, 742.
Market Analysis Reports
List of Reports Available for 3H-Benzothiazole-2-Thione
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