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Substance Name: Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- (9CI)
RN: 33024-47-4
InChIKey: PRVVGOHCHSLWDE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H12-F-N3-O2-S2

Molecular Weight

  • 253.321
 
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Names and Synonyms

Synonyms

  • 1-(m-Dithian-5-yl)-3-(2-fluoroethyl)-3-nitrosourea
  • 3-(5-(1,3)-Dithiacyclohexyl)-1-(2-fluoroethyl)-1-nitrosourea
  • 3-(m-Dithian-5-yl)-1-(2-fluoroethyl)-1-nitrosourea
  • 5-19-08-00349 (Beilstein Handbook Reference)
  • BRN 1432135
  • N'-1,3-Dithian-5-yl-N-(2-fluoroethyl)-N-nitrosourea
  • NSC 132,085
  • Urea, 1-(m-dithian-5-yl)-3-(2-fluoroethyl)-3-nitroso-
  • Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-

Systematic Names

  • Urea, 3-(m-dithian-5-yl)-1-(2-fluoroethyl)-1-nitroso-
  • Urea, N'-1,3-dithian-5-yl-N-(2-fluoroethyl)-N-nitroso- (9CI)

Registry Numbers

CAS Registry Number

  • 33024-47-4

System Generated Number

  • 0033024474

Structure Descriptors

InChI

1S/C7H12FN3O2S2/c8-1-2-11(10-13)7(12)9-6-3-14-5-15-4-6/h6H,1-5H2,(H,9,12)

InChIKey

PRVVGOHCHSLWDE-UHFFFAOYSA-N

Smiles

C(N(N=O)CCF)(NC1CSCSC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 38370ug/kg (38.37mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.54 (none)   EXP
Water Solubility 1100 mg/L 25 EST
Vapor Pressure 3.16E-06 mm Hg 25 EST
Henry's Law Constant 3.83E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.36E-11 cm3/molecule-sec 25 EST

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