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). 2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate. 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). 2-Thiocytosine has been used to investigate the reactions involved in hole transfer (HT) in X-irradiated doped cytosine monohydrate.
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2-Thiocytosine
Dangerous GoodsCAS number：333-49-3 molecular formula：C4H5N3S
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compound introduction
Specs
| Chinese alias | 2-巯基-4-氨基嘧啶 | 4-氨基-2-巯基嘧啶 | ||
| English alias | Thiocytosine | 4-Amino-2(1H)-pyrimidinethione | 4-Amino-2-mercaptopyrimidine | BBL100192 | GEO-00152 | 2-Pyrimidinethiol, 1,4-dihydro-4-imino- (9CI) | 4-Amino-2(1H)-pyrimidinethione # | 4-Aminopyrimidine-2-thiol | SCHEMBL20718 | 6-Amino-2(1H)-pyrimidineth | ||
| CAS number | 333-49-3 | molecular formula | C4H5N3S |
| molecular weight | 127.17 g/mol | Exact mass | ≥97% |
| PSA | 82.500 Ų | logp | -1.100 |
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physicochemical properties
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Safety information
WGK Germany：
3
Personal protective equipment：
Eyeshields， Gloves， type N95 (US)， type P1 (EN143) respirator filter
RTECS：
UW0520000
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MSDS
Found 1 shareMSDS
333-49-3 | 2-Thiocytosine.pdf
