Product Name

  • Name

    benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1)

  • EINECS
  • CAS No. 5902-85-2
  • Density g/cm3
  • Solubility
  • Melting Point
  • Formula C7H5NS2•C2H7NO
  • Boiling Point 305°Cat760mmHg
  • Molecular Weight 228.35
  • Flash Point 138.3°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. A severe eye irritant. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 5902-85-2 (benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1))
  • Hazard Symbols Moderately toxic by ingestion. A severe eye irritant.
  • Synonyms benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1);2-Mercaptobenzothiazole, monoethanolammonium salt;N-(2-HYDROXYETHYL)AMMONIUMBENZOTHIAZOLE-2-THIOLATE
  • PSA 122.37000
  • LogP 2.59660

N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate Chemical Properties

IUPAC Name: 2-Aminoethanol; 3H-1,3-benzothiazole-2-thione
Synonyms of N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate (CAS NO.5902-85-2): 2-Mercaptobenzothiazole ethanolamine salt (1:1) ; 2-Mercaptobenzothiazole, monoethanolammonium salt ; Monoethanolammonium 2-mercaptobenzothiazolate ; Monoethanolammonium 2-mercaptobenzothiazole ; 2(3H)-Benzothiazolethione, compd. with 2-aminoethanol (1:1) ; Benzothiazole-2(3H)-thione, compound with 2-aminoethanol (1:1) ; Ethanol, 2-amino-, compd. with 2-benzothiazolethiol (1:1) (8CI)
InChI: InChI=1/C7H5NS2.C2H7NO/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2
InChIKey: BGZRCNAAUWQNRX-UHFFFAOYAG
Std. InChI: InChI=1S/C7H5NS2.C2H7NO/c9-7-8-5-3-1-2-4-6(5)10-7;3-1-2-4/h1-4H,(H,8,9);4H,1-3H2
Std. InChIKey: BGZRCNAAUWQNRX-UHFFFAOYSA-N
CAS NO: 5902-85-2
Molecular Formula: C9H12N2OS2
Molecular Weight: 228.3344
Molecular Structure :
EINECS: 227-597-2
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 0
Polar Surface Area: 60.63 Å2
Flash Point: 138.3 °C
Enthalpy of Vaporization: 54.54 kJ/mol
Boiling Point: 305 °C at 760 mmHg
Vapour Pressure: 0.000844 mmHg at 25°C

N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 631mg/kg (631mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

SKIN AND APPENDAGES (SKIN): HAIR: OTHER		 International Journal of Toxicology. Vol. 16(Suppl,
rat LD50 skin > 2gm/kg (2000mg/kg)   International Journal of Toxicology. Vol. 16(Suppl,

N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate Safety Profile

Moderately toxic by ingestion. A severe eye irritant. When N-(2-Hydroxyethyl)ammonium benzothiazole-2-thiolate (CAS NO.5902-85-2) is heated to decomposition, it emits toxic vapors of NOx and SOx.

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