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Merck
모든 사진(1)

문서

233625

Sigma-Aldrich

2-Thiocytosine

97%

동의어(들):

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

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About This Item

실험식(Hill 표기법):
C4H5N3S
CAS Number:
Molecular Weight:
127.17
Beilstein:
112435
EC Number:
MDL number:
UNSPSC 코드:
12352100
PubChem Substance ID:
NACRES:
NA.22

분석

97%

mp

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)

InChI key

DCPSTSVLRXOYGS-UHFFFAOYSA-N

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일반 설명

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).

애플리케이션

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

개인 보호 장비

Eyeshields, Gloves, type N95 (US)


시험 성적서(COA)

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문서 라이브러리 방문

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
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
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)
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

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