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Substance Name: Thiourea, N-(2-((1H-imidazol-4-ylmethyl)thio)ethyl)-N'-methyl-
RN: 38603-23-5
InChIKey: XOJHLCFQADZPHU-UHFFFAOYSA-N

Molecular Formula

  • C8-H14-N4-S2

Molecular Weight

  • 230.359
 
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Names and Synonyms

  • Thiourea, N-(2-((1H-imidazol-4-ylmethyl)thio)ethyl)-N'-methyl-

Registry Numbers

CAS Registry Number

  • 38603-23-5

System Generated Number

  • 0038603235

Structure Descriptors

InChI

1S/C8H14N4S2/c1-9-8(13)11-2-3-14-5-7-4-10-6-12-7/h4,6H,2-3,5H2,1H3,(H,10,12)(H2,9,11,13)

InChIKey

XOJHLCFQADZPHU-UHFFFAOYSA-N

Smiles

n1c(c[nH]c1)CSCCNC(=S)NC

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.16 (none)   EXP
Water Solubility 1.10E+04 mg/L 25 EST
Vapor Pressure 3.11E-08 mm Hg 25 EST
Henry's Law Constant 2.84E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.45E-10 cm3/molecule-sec 25 EST

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