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Substance Name: 3-Methylbenzothiazole-2(3H)-thione
RN: 2254-94-6
InChIKey: IRNRNPNZAKHEAW-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-S2

Molecular Weight

  • 181.282
 
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Names and Synonyms

Synonym

  • EINECS 218-852-9

Systematic Names

  • 2(3H)-Benzothiazolethione, 3-methyl-
  • 3-Methylbenzothiazole-2(3H)-thione

Registry Numbers

CAS Registry Number

  • 2254-94-6

System Generated Number

  • 0002254946

Structure Descriptors

InChI

1S/C8H7NS2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3

InChIKey

IRNRNPNZAKHEAW-UHFFFAOYSA-N

Smiles

s1c(=S)n(C)c2c1cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 1500mg/kg (1500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
National Technical Information Service. Vol. OTS0540645,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 90 deg C   EXP
Boiling Point 335 deg C   EXP
log P (octanol-water) 2.380 (none)   EST
Atmospheric OH Rate Constant 9.13E-11 cm3/molecule-sec 25 EST

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