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Substance Name: BW 616U76
RN: 74134-16-0
InChIKey: CPEJWUGAQDQTIT-UHFFFAOYSA-N

Molecular Formula

  • C15-H11-N-O4-S

Molecular Weight

  • 301.3209
 
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Names and Synonyms

Name of Substance

  • BW 616U76

Synonym

  • BW-616U76

Systematic Name

  • Acetamide, N-(9-oxo-9H-thioxanthen-3-yl)-, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 74134-16-0

System Generated Number

  • 0074134160

Structure Descriptors

InChI

1S/C15H11NO4S/c1-9(17)16-10-6-7-12-14(8-10)21(19,20)13-5-3-2-4-11(13)15(12)18/h2-8H,1H3,(H,16,17)

InChIKey

CPEJWUGAQDQTIT-UHFFFAOYSA-N

Smiles

CC(=O)Nc1ccc2c(c1)S(=O)(=O)c3ccccc3C2=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.35 (none)   EXP
Water Solubility 9.220 mg/L 25 EST
Vapor Pressure 6.76E-11 mm Hg 25 EST
Henry's Law Constant 4.67E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.90E-12 cm3/molecule-sec 25 EST

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