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Substance Name: Thialdine
RN: 638-17-5
UNII: ZKG651IE9G
InChIKey: FBMVFHKKLDGLJA-FPFOFBBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H13-N-S2

Molecular Weight

  • 163.3077
 
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Names and Synonyms

Results Name

  • Thialdine

Name of Substance

  • Thialdine

Synonyms

  • AI3-07709
  • EINECS 211-323-3
  • Thialdine
  • UNII-ZKG651IE9G

Systematic Names

  • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-
  • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-, (2-alpha,4-alpha,6-alpha)-
  • 5,6-Dihydro-2,4,6-trimethyl-1,3,5-dithiazine

Superlist Names

  • 4H-1,3,5-Dithiazine, dihydro-2,4,6-trimethyl-, (2alpha,4alpha,6alpha)-
  • Thialdine

Registry Numbers

CAS Registry Number

  • 638-17-5

FDA UNII

  • ZKG651IE9G

System Generated Number

  • 0000638175

Structure Descriptors

InChI

1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3/t4-,5+,6-

InChIKey

FBMVFHKKLDGLJA-FPFOFBBKSA-N

Smiles

C[C@@H]1N[C@H](C)SC(C)S1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 265mg/kg (265mg/kg)   Radiation Research. Vol. 7, Pg. 22, 1957.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 46 deg C   EXP
log P (octanol-water) 1.440 (none)   EST
Water Solubility 7000 mg/L 20 EXP
Atmospheric OH Rate Constant 4.66E-10 cm3/molecule-sec 25 EST

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