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Substance Name: Goitrin
RN: 500-12-9
UNII: 7Q618OJ6K9
InChIKey: UZQVYLOFLQICCT-BYPYZUCNSA-N

Classification Codes

  • Antithyroid Agents
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C5-H7-N-O-S

Molecular Weight

  • 129.1823
 
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Names and Synonyms

Name of Substance

  • Goitrin

Synonyms

  • (-)-5-Vinyl-2-oxazolidinethione
  • (S)-5-Ethenyl-2-oxazolidinethione
  • 2-Oxazolidinethione, 5-ethenyl-,(s)-
  • 5-Vinyl-2-thiooxazolidone
  • Goitrin
  • Goitrin, l
  • Goitrin, L-
  • HSDB 7068
  • UNII-7Q618OJ6K9
  • VTO

Systematic Name

  • 2-Oxazolidinethione, 5-ethenyl-, (S)-

Registry Numbers

CAS Registry Number

  • 500-12-9

FDA UNII

  • 7Q618OJ6K9

Related Registry Number

  • 13190-34-6 (DL)

System Generated Number

  • 0000500129

Structure Descriptors

InChI

1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m0/s1

InChIKey

UZQVYLOFLQICCT-BYPYZUCNSA-N

Smiles

C=C[C@H]1CNC(=S)O1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 50 deg C   EXP
pKa Dissociation Constant 10.5 (none)   EXP
log P (octanol-water) 1.190 (none)   EST
Atmospheric OH Rate Constant 1.05E-10 cm3/molecule-sec 25 EST

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