Chemical Properties of Barbituric acid, 5-hydroxy-5-thiosemicarbazido-

Barbituric acid, 5-hydroxy-5-thiosemicarbazido-

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InChI
InChI=1S/C5H7N5O4S/c6-3(15)9-10-5(14)1(11)7-4(13)8-2(5)12/h10,14H,(H3,6,9,15)(H2,7,8,11,12,13)
InChI Key
GOHDTOFXBVDEDM-UHFFFAOYSA-N
Formula
C5H7N5O4S
SMILES
NC(=S)NNC1(O)C(=O)NC(=O)NC1=O
Molecular Weight1
233.21
Sources

Physical Properties

Property Value Unit Source
Δf 43.30 kJ/mol Joback Calculated Property
Δfgas -279.45 kJ/mol Joback Calculated Property
Δfus 36.04 kJ/mol Joback Calculated Property
Δvap 99.18 kJ/mol Joback Calculated Property
logPoct/wat -3.62 Crippen Calculated Property
Pc 9499.60 kPa Joback Calculated Property
Tboil 969.24 K Joback Calculated Property
Tc 1239.16 K Joback Calculated Property
Tfus 875.78 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 445.58 J/mol×K 969.24 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< 1
-OH (alcohol) 1
>NH (ring) 2
-NH2 1
-S- 1
>NH 2
>C< (ring) 1
>C=O (ring) 3

Similar Compounds

Barbituric acid, 5-nitro-. 1,3-Dimethylxanthine, TMS. DIHYDROERGOKRYPTINE. AJMALINE, M(NOR-), AC. Alloxantin. Alloxantin, dihydrate. AJMALINE, M(HO-), AC. AJMALINE, AC. (1aR,1a1S,9bS,10S,11R,11aS)-7,8,11-Trimethoxy-1a1,2,3,5,9b,10,11,11a-octahydrooxireno[2,3-c]pyrrolo[3,2,1-de]phenanthridin-10-ol. Ergotamine, dihydro, methanesulfonate (salt). DIHYDROERGOTAMINE. 10-Methoxy-14-methyl-5-oxo-5,7,8,14-tetrahydro-indolo-[2,3-c]-quinazo-[3,2,a]-pyridine. AJMALINE, M(DIHYDRO-), AC. Paclitaxel. Strychnine.

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