4-Methylpyrimidine-2-thiol hydrochloride supplier

Name
2-MERCAPTO-4-METHYLPYRIMIDINE HYDROCHLORIDE
EINECS 230-152-5
CAS No. 6959-66-6
Density 1.24 g/cm3
Solubility
Melting Point 265 °C (dec.)(lit.)
Formula C₅H₇ClN₂S
Boiling Point 201.7 °C at 760 mmHg
Molecular Weight 162.643
Flash Point 75.8 °C
Transport Information
Appearance yellow fine crystalline powder
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2(1H)-Pyrimidinethione,4-methyl-, monohydrochloride (9CI);2-Pyrimidinethiol, 4-methyl-, hydrochloride(5CI);2-Pyrimidinethiol, 4-methyl-, monohydrochloride (8CI);2-Mercapto-4-methylpyrimidine hydrochloride;2-Mercapto-4-methylpyrimidinemonohydrochloride;2-Mercapto-4-methylpyrimidinium chloride;4-Methyl-2(1H)-pyrimidinethione hydrochloride;4-Methyl-2-pyrimidinethiolhydrochloride;
PSA 64.58000
LogP 1.87570

4-Methylpyrimidine-2-thiol hydrochloride Specification

The CAS register number of 2(1H)-Pyrimidinethione,4-methyl-, hydrochloride (1:1) is 6959-66-6. It also can be called as 4-Methylpyrimidine-2-thiol hydrochloride and the systematic name about this chemical is 6-methylpyrimidine-2(1H)-thione hydrochloride. The molecular formula about this chemical is C₅H₇ClN₂S and the molecular weight is 162.64. It belongs to the Pyrimidine. This chemical is irritating to eyes, respiratory system and skin. When you are using it, please avoid contact with skin and eyes.

Physical properties about 2(1H)-Pyrimidinethione,4-methyl-, hydrochloride (1:1) are: (1)ACD/LogP: -0.52; (2)ACD/LogD (pH 5.5): -0.52; (3)ACD/LogD (pH 7.4): -0.54; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.41; (7)ACD/KOC (pH 7.4): 11.85; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 47.69Å²; (11)Flash Point: 75.8 °C; (12)Enthalpy of Vaporization: 43.79 kJ/mol; (13)Boiling Point: 201.7 °C at 760 mmHg; (14)Vapour Pressure: 0.304 mmHg at 25°C.

Uses of 2(1H)-Pyrimidinethione,4-methyl-, hydrochloride (1:1): it can be used to produce (methyl-4 pyrimidinyl-2) thio-2 nitro-5 pyridine with 2-chloro-5-nitro-pyridine at temperature of 60 ℃. This reaction will need reagent 1 N KOH and solvent aq. ethanol with reaction time of 90 min. The yield is about 83%.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.S=C1/N=C\C=C(/N1)C
(2)InChI: InChI=1/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
(3)InChIKey: UQJLPBLXSJWAKG-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H
(5)Std. InChIKey: UQJLPBLXSJWAKG-UHFFFAOYSA-N

Product Name

2-MERCAPTO-4-METHYLPYRIMIDINE HYDROCHLORIDE

4-Methylpyrimidine-2-thiol hydrochloride Specification

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