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Sigma-Aldrich

2-Thiocytosine

97%

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C4H5N3S
CAS Number:
Molecular Weight:
127.17
Beilstein:
112435
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

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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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
M P Robertson et al.
Journal of molecular evolution, 43(6), 543-550 (1996-12-01)
The reaction of guanidine hydrochloride with cyanoacetaldehyde gives high yields (40-85%) of 2,4-diaminopyrimidine under the concentrated conditions of a drying lagoon model of prebiotic synthesis, in contrast to the low yields previously obtained under more dilute conditions. The prebiotic source

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