Thiobarbital

Thiobarbital
Identifiers
	IUPAC name 5,5-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;
CAS Number	77-32-7 ;
PubChem CID	667509;
ChemSpider	580885 ;
UNII	H4FNF051KS;
CompTox Dashboard (EPA)	DTXSID40227810 ;
ECHA InfoCard	100.000.929
Chemical and physical data
Formula	C8H12N2O2S
Molar mass	200.26 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES O=C1NC(=S)NC(=O)C1(CC)CC;
	InChI InChI=1S/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) ; Key:QGVNJRROSLYGKF-UHFFFAOYSA-N ;
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Thiobarbital is a drug which is a barbiturate derivative. It is the thiobarbiturate analogue of barbital.

Synthesis

Thiobarbital synthesis:^[1]^[2]

It is of note that although the drug can be prepared by the above route (cf e.g. thialbarbital), reaction of barbital with phosphorus pentasulfide constitutes an alternative route to thiobarbital.

References

^ Fischer E, Dilthey A (1904). "Ueber C-Dialkylbarbitursäuren und über die Ureïde der Dialkylessigsäuren". Justus Liebig's Annalen der Chemie. 335 (3): 334–368. doi:10.1002/jlac.19043350303.
^ Carrington HC (1944). "45. The action of phosphorus pentasulphide on barbituric acids". Journal of the Chemical Society (Resumed): 124. doi:10.1039/JR9440000124.

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[1] Fischer E, Dilthey A (1904). "Ueber C-Dialkylbarbitursäuren und über die Ureïde der Dialkylessigsäuren". Justus Liebig's Annalen der Chemie. 335 (3): 334–368. doi:10.1002/jlac.19043350303.

[2] Carrington HC (1944). "45. The action of phosphorus pentasulphide on barbituric acids". Journal of the Chemical Society (Resumed): 124. doi:10.1039/JR9440000124.

[1]

[2]

Identifiers

IUPAC name 5,5-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
CAS Number	77-32-7^N
PubChem CID	667509
ChemSpider	580885^Y
UNII	H4FNF051KS
CompTox Dashboard (EPA)	DTXSID40227810
ECHA InfoCard	100.000.929
Chemical and physical data
Formula	C₈H₁₂N₂O₂S
Molar mass	200.26 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES O=C1NC(=S)NC(=O)C1(CC)CC
InChI InChI=1S/C8H12N2O2S/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)^Y Key:QGVNJRROSLYGKF-UHFFFAOYSA-N^Y
^NY (what is this?) (verify)