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Sigma-Aldrich

2-Thiocytosine

97%

Sinônimo(s):

4-Amino-2-mercaptopyrimidine, 4-Amino-2-thiopyrimidine

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R$ 692,00

R$ 692,00


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1 G
R$ 692,00

About This Item

Fórmula empírica (Notação de Hill):
C4H5N3S
Número CAS:
Peso molecular:
127.17
Beilstein:
112435
Número CE:
Número MDL:
Código UNSPSC:
12352100
ID de substância PubChem:
NACRES:
NA.22

R$ 692,00


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Ensaio

97%

pf

285-290 °C (dec.) (lit.)

cadeia de caracteres SMILES

NC1=NC(=S)NC=C1

InChI

1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

chave InChI

DCPSTSVLRXOYGS-UHFFFAOYSA-N

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Descrição geral

2-Thiocytosine is a potential antileukemic and anticancer agent[1]. 2-Thiocytosine in solid state has been investigated by (1)H-(14)N NMR-NQR double resonance (NQDR) spectroscopy and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT)[1].

Aplicação

2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate[2].

Código de classe de armazenamento

11 - Combustible Solids

Classe de risco de água (WGK)

WGK 3

Ponto de fulgor (°F)

Not applicable

Ponto de fulgor (°C)

Not applicable

Equipamento de proteção individual

Eyeshields, Gloves, type N95 (US)


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Jolanta N Latosińska et al.
Journal of molecular modeling, 18(1), 11-26 (2011-03-30)
A potential antileukemic and anticancer agent, 2-thiocytosine (2-TC), has been studied experimentally in the solid state by (1)H-(14)N NMR-NQR double resonance (NQDR) and theoretically by the quantum theory of atoms in molecules (QTAIM)/density functional theory (DFT). Eighteen resonance frequencies on
André Krivokapić et al.
The journal of physical chemistry. A, 112(16), 3597-3606 (2008-03-18)
Following exposure to X-irradiation at low temperatures, the main reactions taking place in single crystals of cytosine monohydrate doped with minute amounts of 2-thiocytosine are hole transfer (HT) from the electron-loss centers to the dopant and recombination of oxidation and
H Rostkowska et al.
Biochimica et biophysica acta, 1172(3), 239-246 (1993-03-20)
2-Thiocytosine (s2Cyt) and 5-fluoro-2-thiocytosine (f5s2Cyt) were studied by means of IR spectroscopy under different environmental conditions: isolated in low-temperature inert gas matrices, associated in thin amorphous and polycrystalline films. The compounds isolated in matrices were only very slightly influenced by
Determination of thiocytosine using its enhancement effect on the copper anodic stripping wave.
R B Diez-Caballero et al.
The Analyst, 113(7), 1047-1050 (1988-07-01)
Sebastian Mai et al.
The journal of physical chemistry. B, 121(20), 5187-5196 (2017-04-30)
The solvatochromic effects of six different solvents on the UV absorption spectrum of 2-thiocytosine have been studied by a combination of experimental and theoretical techniques. The steady-state absorption spectra show significant shifts of the absorption bands, where in more polar

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