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Substance Name: 2-Methylbenzothiazole
RN: 120-75-2
UNII: 7LX1XE6H8W
InChIKey: DXYYSGDWQCSKKO-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-S

Molecular Weight

  • 149.2163
 
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Names and Synonyms

Name of Substance

  • 2-Methylbenzothiazole

Synonyms

  • 2-Methybenzothiazole
  • 2-Methylbenzothiazole
  • 4-27-00-01080 (Beilstein Handbook Reference)
  • BRN 0112427
  • CCRIS 8096
  • EINECS 204-423-3
  • NSC 3825
  • UNII-7LX1XE6H8W
  • USAF EK-1853

Systematic Names

  • 2-Methylbenzothiazole
  • Benzothiazole, 2-methyl-

Registry Numbers

CAS Registry Number

  • 120-75-2

FDA UNII

  • 7LX1XE6H8W

System Generated Number

  • 0000120752

Structure Descriptors

InChI

1S/C8H7NS/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3

InChIKey

DXYYSGDWQCSKKO-UHFFFAOYSA-N

Smiles

Cc1nc2ccccc2s1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LD50 intravenous 105mg/kg (105mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 14 deg C   EXP
Boiling Point 238 deg C   EXP
log P (octanol-water) 2.720 (none)   EST
Water Solubility 366 mg/L 25 EST
Henry's Law Constant 4.13E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.84E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.