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Substance Name: Methallatal
RN: 115-56-0
UNII: N60S305Q6P
InChIKey: XMQICEWOKPEQRG-UHFFFAOYSA-N

Molecular Formula

  • C10-H14-N2-O2-S

Molecular Weight

  • 226.299
 
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Names and Synonyms

Name of Substance

  • Methallatal

Synonyms

  • EINECS 204-095-1
  • UNII-N60S305Q6P

Systematic Name

  • 5-Ethyldihydro-5-(2-methylallyl)-2-thioxo-1H,5H-pyrimidine-4,6-dione

Registry Numbers

CAS Registry Number

  • 115-56-0

FDA UNII

  • N60S305Q6P

System Generated Number

  • 0000115560

Structure Descriptors

InChI

1S/C10H14N2O2S/c1-4-10(5-6(2)3)7(13)11-9(15)12-8(10)14/h2,4-5H2,1,3H3,(H2,11,12,13,14,15)

InChIKey

XMQICEWOKPEQRG-UHFFFAOYSA-N

Smiles

C1(C(NC(=S)NC1=O)=O)(CC(C)=C)CC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160.5 deg C   EXP
log P (octanol-water) 2.19 (none)   EXP
Water Solubility 430 mg/L 25 EST
Vapor Pressure 3.96E-10 mm Hg 25 EST
Henry's Law Constant 4.20E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.00E-11 cm3/molecule-sec 25 EST

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