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233625

2-硫胞嘧啶

Name: 2-硫胞嘧啶
Brand: ALDRICH

97%

别名:

2-巯基-4-氨基嘧啶, 4-氨基-2-巯基嘧啶

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关于此项目

经验公式（希尔记法）:

C₄H₅N₃S

化学文摘社编号:

333-49-3

分子量:

127.17

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

329752415

EC Number:

206-374-3

Beilstein/REAXYS Number:

112435

MDL number:

MFCD00057341

Assay:

97%

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属性

Quality Level

100

assay

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

说明

General description

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).

Application

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

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

历史批次信息供参考:

分析证书(COA)

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A comparative study of the hydrogen-bonding patterns and prototropism in solid 2-thiocytosine (potential antileukemic agent) and cytosine, as studied by 1H-14N NQDR and QTAIM/ DFT.

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

Proton-coupled hole transfer in X-irradiated doped crystalline cytosine.H2O.

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

Solvatochromic Effects on the Absorption Spectrum of 2-Thiocytosine.

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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全球贸易项目编号

货号	GTIN
233625-1G	04061826221662