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233625

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:
333-49-3
Molecular Weight:
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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Quality Segment

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

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

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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