ChemicalBook--->CAS DataBase List--->13190-34-6

13190-34-6

13190-34-6 Structure

13190-34-6 Structure
IdentificationBack Directory
[Name]

DL-GOITRIN
[CAS]

13190-34-6
[Synonyms]

DL-GOITRIN
500-12-9 (L)
(+/-)-GOITRIN
Einecs 236-145-3
DL-Goitrin, 98+%
5-Vinylthiooxazolidone
5-vinyloxazolidine-2-thione
5-Vinyloxazolidone-2-thione
5-Ethenyl-2-oxazolidinethione
2-Oxazolidinethione, 5-ethenyl-
5-Vinyl-1,3-oxazolidine-2-thione
[EINECS(EC#)]

236-145-3
[Molecular Formula]

C5H7NOS
[MDL Number]

MFCD00015467
[MOL File]

13190-34-6.mol
[Molecular Weight]

129.18
Chemical PropertiesBack Directory
[Melting point ]

64-65°C
[Boiling point ]

150.6±43.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

A crystalline solid
[pka]

13.34±0.40(Predicted)
[color ]

White to off-white
[Merck ]

14,4513
[BRN ]

80669
[InChI]

InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)
[InChIKey]

UZQVYLOFLQICCT-UHFFFAOYSA-N
[SMILES]

O1C(C=C)CNC1=S
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Safety Statements ]

22-24/25
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

DL-Goitrin is a sulfur-containing oxazolidine, a cyclic thiocarbamate, that reduces the production of thyroid hormones such as thyroxine.
[Definition]

ChEBI: 5-ethenyl-1,3-oxazolidine-2-thione is a member of the class of oxazolidines that is 1,3-oxazolidine substituted by sulfanylidene and ethenyl groups at positions 2 and 5, respectively. It is a member of oxazolidines and an olefinic compound.
[Synthesis Reference(s)]

Journal of the American Chemical Society, 72, p. 4792, 1950 DOI: 10.1021/ja01166a126
Journal of Heterocyclic Chemistry, 27, p. 811, 1990 DOI: 10.1002/jhet.5570270361
Spectrum DetailBack Directory
[Spectrum Detail]

DL-GOITRIN(13190-34-6)1HNMR
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