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Substance Name: 5-Thio-D-glucose
RN: 20408-97-3
UNII: 3PRV1384UO
InChIKey: IJJLRUSZMLMXCN-SLPGGIOYSA-N

Molecular Formula

  • C6-H12-O5-S

Molecular Weight

  • 196.222
 

Classification Codes

  • Antimetabolites
  • Antimetabolites, Antineoplastic
  • Antineoplastic Agents
  • Antispermatogenic Agents
  • Contraceptive Agents
  • Contraceptive Agents, Male
  • Mutation Data
  • Noxae
  • Radiation-Sensitizing Agents
  • Reproductive Control Agents
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • 5-Thio-D-glucose

Synonyms

  • 5-Thio-alpha-D-glucopyranose
  • 5-Thio-D-glucose
  • AI3-63209
  • alpha-D-Glucothiopyranose
  • BRN 1865193
  • EINECS 243-798-8
  • UNII-3PRV1384UO

Systematic Names

  • 5-Thio-D-glucose
  • D-Glucose, 5-thio-
  • Glucose, 5-thio-, D-

Registry Numbers

CAS Registry Number

  • 20408-97-3

FDA UNII

  • 3PRV1384UO

Other Registry Number

  • 119663-50-2

System Generated Number

  • 0020408973

Structure Descriptors

InChI

1S/C6H12O5S/c7-1-3(9)5(10)6(11)4(12)2-8/h1,3-6,8-12H,2H2/t3-,4+,5+,6+/m0/s1

InChIKey

IJJLRUSZMLMXCN-SLPGGIOYSA-N

Smiles

C(=O)[C@H](O)[C@H]([C@@H]([C@@H](CO)S)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5500mg/kg (5500mg/kg)   International Journal of Radiation Oncology, Biology, Physics. Vol. 8, Pg. 589, 1982.
quail LD50 oral > 600mg/kg (600mg/kg)   Ecotoxicology and Environmental Safety. Vol. 6, Pg. 149, 1982.
rat LD50 unreported 14gm/kg (14000mg/kg)   United States Patent Document. Vol. #3932625,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135.5 deg C   EXP
log P (octanol-water) -2.630 (none)   EST
Atmospheric OH Rate Constant 1.25E-10 cm3/molecule-sec 25 EST

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