Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide (9CI)
RN: 33022-02-5
InChIKey: MHOURTKZILVYRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H14-Cl-N3-O4-S

Molecular Weight

  • 283.735
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-(2-Chloroethyl)-3-(tetrahydro-2H-thiopyran-4-yl)-1-nitrosourea S,S-dioxide
  • BRN 1393547
  • N-(2-Chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)urea S,S-dioxide
  • NSC 105763

Systematic Names

  • Urea, 1-(2-chloroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide
  • Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-, S,S-dioxide (9CI)
  • Urea, N-(2-chloroethyl)-N-nitroso-N'-(tetrahydro-2H-thiopyran-4-yl)-,S,S-dioxide (9CI)

Registry Numbers

CAS Registry Number

  • 33022-02-5

System Generated Number

  • 0033022025

Structure Descriptors

InChI

1S/C8H14ClN3O4S/c9-3-4-12(11-14)8(13)10-7-1-5-17(15,16)6-2-7/h7H,1-6H2,(H,10,13)

InChIKey

MHOURTKZILVYRM-UHFFFAOYSA-N

Smiles

S1(=O)(=O)CCC(NC(N(N=O)CCCl)=O)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16970ug/kg (16.97mg/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) 0.19 (none)   EXP
Water Solubility 514 mg/L 25 EST
Vapor Pressure 5.83E-08 mm Hg 25 EST
Henry's Law Constant 8.90E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.56E-11 cm3/molecule-sec 25 EST

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