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Substance Name: 4-Methylthiazole
RN: 693-95-8
UNII: X8S174990R
InChIKey: QMHIMXFNBOYPND-UHFFFAOYSA-N

Molecular Formula

  • C4-H5-N-S

Molecular Weight

  • 99.1565
 
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Names and Synonyms

Name of Substance

  • 4-Methylthiazole

Synonyms

  • 4-27-00-00969 (Beilstein Handbook Reference)
  • 4-Methylthiazole
  • BRN 0105228
  • EINECS 211-764-1
  • FEMA No. 3716
  • HSDB 5747
  • NSC 42976
  • Thiazole, 4-methyl-
  • UNII-X8S174990R

Systematic Names

  • 4-Methylthiazole
  • Thiazole, 4-methyl-

Superlist Names

  • 4-Methylthiazole
  • Thiazole, 4-methyl-

Registry Numbers

CAS Registry Number

  • 693-95-8

FDA UNII

  • X8S174990R

System Generated Number

  • 0000693958

Structure Descriptors

InChI

InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3

InChIKey

QMHIMXFNBOYPND-UHFFFAOYSA-N

Smiles

Cc1cscn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 360uL/kg (0.36mL/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 182, 1992.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 133.3 deg C   EXP
log P (octanol-water) 0.97 (none)   EXP
Water Solubility 1.75E+04 mg/L 25 EST
Vapor Pressure 8.6 mm Hg 25 EXP
Henry's Law Constant 4.23E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.79E-12 cm3/molecule-sec 25 EST

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