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Pyrimidine-1-Thiol
[CAS# 53745-18-9]

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Abblis Chemicals LLC USA
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Chemical manufacturer
Achemica Switzerland
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Chemical manufacturer since 2010
Alfa Aesar. USA
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Astatech, Inc. USA
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Chemical manufacturer since 1996
Enamine Ltd. Ukraine
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Chemical manufacturer since 1991
Excenen Pharmatech Co., Ltd. China
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Fluorochem Ltd. UK
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Interbioscreen Ltd. Russian Federation
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King Scientific USA
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Chemical manufacturer since 2013
MP Biomedicals LLC. USA
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Chemical manufacturer
Identification
Name Pyrimidine-1-Thiol
Synonyms Nsc193522; 63851_Fluka; 2(1H)-Pyrimidinethione
Molecular Structure CAS#: 53745-18-9, Pyrimidine-1-Thiol
Molecular Formula C4H4N2S
Molecular Weight 112.15
CAS Registry Number 53745-18-9
EINECS 258-741-2
SMILES C1(=S)N=CC=CN1
InChI 1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)
InChIKey HBCQSNAFLVXVAY-UHFFFAOYSA-N
Properties
Density 1.3±0.1g/cm3 (Cal.)
Melting point 230°C (Expl.)
Boiling point 234.2±23.0°C at 760 mmHg (Cal.)
Flash point 95.4±22.6°C (Cal.)
Safety Data
Safety Code S26;S37  Details
Risk Code R36/37/38  Details
Hazard Symbol symbol  X  Details
Safety Description WARNING: Irritates lungs, eyes, skin
References
(1) Masami Sakamoto, Fumitoshi Yagishita, Masaru Ando, Yuich Sasahara, Norifumi Kamataki, Mai Ohta, Takashi Mino, Yoshio Kasashima and Tsutomu Fujita. Generation and amplification of optical activity of axially chiral N-(1-naphthyl)-2(1H)-pyrimidinethione by crystallization, Org. Biomol. Chem., 2010, 8, 5418.
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