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233625

Sigma-Aldrich

2-Thiocytosin

97%

Synonym(e):

4-Amino-2-mercapto-pyrimidin, 4-Amino-2-thiopyrimidin

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About This Item

Empirische Formel (Hill-System):
C4H5N3S
CAS-Nummer:
333-49-3
Molekulargewicht:
127.17
Beilstein:
112435
EG-Nummer:
206-374-3
MDL-Nummer:
MFCD00057341
UNSPSC-Code:
12352100
PubChem Substanz-ID:
329752415
NACRES:
NA.22

Assay

97%

mp (Schmelzpunkt)

285-290 °C (dec.) (lit.)

SMILES String

NC1=NC(=S)NC=C1

InChI

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

InChIKey

DCPSTSVLRXOYGS-UHFFFAOYSA-N

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Allgemeine Beschreibung

2-Thiocytosine is a potential antileukemic and anticancer agent. 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).

Anwendung

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

Lagerklassenschlüssel

11 - Combustible Solids

WGK

WGK 3

Flammpunkt (°F)

Not applicable

Flammpunkt (°C)

Not applicable

Persönliche Schutzausrüstung

Eyeshields, Gloves, type N95 (US)

Analysenzertifikate (COA)

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4-Mercaptopyridin 95%

Sigma-Aldrich

148202

4-Mercaptopyridin

4-Thiouridin ≥98%

Sigma-Aldrich

T4509

4-Thiouridin

2,2,2-Trifluorethanthiol 95%

Sigma-Aldrich

374008

2,2,2-Trifluorethanthiol

6-Thioguanin ≥98%

Sigma-Aldrich

A4882

6-Thioguanin

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
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
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)
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