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Substance Name: 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione
RN: 40016-42-0
InChIKey: ZOFIQVOGCZRBNP-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N4-O2-S2

Molecular Weight

  • 230.2714
 
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Names and Synonyms

Synonym

  • EINECS 254-750-0

Systematic Name

  • 1-(5-Nitrothiazol-2-yl)imidazolidine-2-thione

Registry Numbers

CAS Registry Number

  • 40016-42-0

System Generated Number

  • 0040016420

Structure Descriptors

InChI

1S/C6H6N4O2S2/c11-10(12)4-3-8-6(14-4)9-2-1-7-5(9)13/h3H,1-2H2,(H,7,13)

InChIKey

ZOFIQVOGCZRBNP-UHFFFAOYSA-N

Smiles

c1c(sc(n1)N2CCNC2=S)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.7 (none)   EXP
Water Solubility 4450 mg/L 25 EST
Vapor Pressure 1.23E-07 mm Hg 25 EST
Henry's Law Constant 4.85E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.69E-11 cm3/molecule-sec 25 EST

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