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Substance Name: 3-Methyl-2(3H)-benzothiazolone
RN: 2786-62-1
InChIKey: LSMMRJUHLKJNLR-UHFFFAOYSA-N

Molecular Formula

  • C8-H7-N-O-S

Molecular Weight

  • 165.2153
 
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Names and Synonyms

Results Name

  • 3-Methyl-2(3H)-benzothiazolone

Synonym

  • 3-Methyl-2(3H)-benzothiazolone

Systematic Name

  • 2(3H)-Benzothiazolone, 3-methyl-

Registry Numbers

CAS Registry Number

  • 2786-62-1

System Generated Number

  • 0002786621

Structure Descriptors

InChI

1S/C8H7NOS/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3

InChIKey

LSMMRJUHLKJNLR-UHFFFAOYSA-N

Smiles

CN1C(=O)Sc2ccccc12

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.98 (none)   EXP
Water Solubility 1320 mg/L 25 EST
Vapor Pressure 1.38E-04 mm Hg 25 EST
Henry's Law Constant 7.94E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.26E-12 cm3/molecule-sec 25 EST

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