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N,N-Diisopropyl-2-benzothiazole-sulfenamide

  • Name N,N-Diisopropyl-2-benzothiazole-sulfenamide
  • EINECSN/A
  • CAS No. 95-29-4
  • Density1.17g/cm3
  • PSA69.67000
  • LogP4.42220
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC13H18 N2 S2
  • Boiling Point348.4°Cat760mmHg
  • Molecular Weight266.431
  • Flash Point164.5°C
  • Transport InformationN/A
  • AppearanceN/A
  • SafetyModerately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and SOx.
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 95-29-4 (N,N-DIISOPROPYLBENZOTHIAZOLE-2-SULFENAMIDE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data14

N,N-Diisopropyl-2-benzothiazole-sulfenamide Chemical Properties

IUPAC Name: N-(1,3-Benzothiazol-2-ylsulfanyl)-N-propan-2-ylpropan-2-amine
Synonyms of  N,N-Diisopropyl-2-benzothiazole-sulfenamide (CAS NO.95-29-4): N,N-Bis(isopropyl)-2-benzothiazolesulfenamide ; N,N-Diisopropyl benzothiazole-2-sulfenamide ; N,N-Diisopropyl-2-benzothiazolesulfenamide ; N,N-Diisopropylbenzothiazyl-2-sulfenamide ; 2-Benzothiazolesulfenamide, N,N-bis(1-methylethyl)- ; 2-Benzothiazolesulfenamide, N,N-diisopropyl- ; 2-Benzothiazolesulfenamide, N,N-diisopropyl-
InChI: InChI=1/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3
InChIKey: ILSQBBRAYMWZLQ-UHFFFAOYAN
Std. InChI: InChI=1S/C13H18N2S2/c1-9(2)15(10(3)4)17-13-14-11-7-5-6-8-12(11)16-13/h5-10H,1-4H3
Std. InChIKey: ILSQBBRAYMWZLQ-UHFFFAOYSA-N
CAS NO: 95-29-4
Molecular Formula: C13H18N2S2
Molecular Weight: 266.4254
Molecular Structure :
EINECS: 202-407-0
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 4
Polar Surface Area: 69.67 Å2
Index of Refraction: 1.62
Molar Refractivity: 79.87 cm3
Molar Volume: 227.2 cm3
Surface Tension: 49.9 dyne/cm
Density: 1.17 g/cm3
Flash Point: 164.5 °C
Enthalpy of Vaporization: 59.28 kJ/mol
Boiling Point: 348.4 °C at 760 mmHg
Vapour Pressure: 5.05E-05 mmHg at 25°C

N,N-Diisopropyl-2-benzothiazole-sulfenamide Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3892mg/kg (3892mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 8(7), Pg. 39, 1964.
rabbit LD50 skin > 2gm/kg (2000mg/kg)   National Technical Information Service. Vol. OTS0538647,
rat LD50 oral 5200mg/kg (5200mg/kg) BEHAVIORAL: ATAXIA

KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION
National Technical Information Service. Vol. OTS0538647,

N,N-Diisopropyl-2-benzothiazole-sulfenamide Consensus Reports

Reported in EPA TSCA Inventory.

N,N-Diisopropyl-2-benzothiazole-sulfenamide Safety Profile

Moderately toxic by ingestion. When N,N-Diisopropyl-2-benzothiazole-sulfenamide (CAS NO.95-29-4) is heated to decomposition ,it emits toxic vapors of NOx and SOx.

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