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Thiopental
SpectraBase Compound ID 51aIQwMukWZ
InChI InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey IUJDSEJGGMCXSG-UHFFFAOYSA-N
Mol Weight 242.34 g/mol
Molecular Formula C11H18N2O2S
Exact Mass 242.108899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9npyWtdiPRz
Name 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo-
Alternate Name(s) 5-Ethyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (+-)-Thiopental 2-Thio-5-ethyl-5-sec-pentylbarbituric acid 5-Ethyl-5-(1-methylbutyl)-2-thiobarbituric acid 5-Ethyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-dione 5-Ethyl-5-(1-methylbutyl)-2-thioxo-hexahydropyrimidine-4,6-quinone 5-Ethyl-5-pentan-2-yl-2-sulfanylidene-1,3-diazinane-4,6-dione Barbituric acid, 5-ethyl-5-(1-methylbutyl)-2-thio- Farmotal Intraval Nesdonal Penthiobarbital Pentothal Pentothiobarbital Thiomebumal Thionembutal Thiopental Thiopentobarbital Thiopentobarbitone Thiopentobarbituric acid Thiopentone Thiothal Tiopentale Trapanal BRN 0209361 EINECS 200-984-3
CAS Registry Number 76-75-5
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Formula C11H18N2O2S
InChI InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
InChIKey IUJDSEJGGMCXSG-UHFFFAOYSA-N
Molecular Weight 242.337 g/mol
SMILES N1C(C(C(NC1=S)=O)(C(CCC)C)CC)=O
SPLASH splash10-05fr-2900000000-3c0db3a96461625b5501
Source of Spectrum JC-530-317-57
Wiley ID 1244716