2,4(1H,3H)-Pyrimidinedithione,6-methyl- supplier

Name
6-methyl-1H,3H-pyrimidine-2,4-dithione
EINECS 228-624-0
CAS No. 6308-38-9
Article Data10
CAS DataBase
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₅H₆N₂S₂
Boiling Point 236 °C at 760 mmHg
Molecular Weight 158.248
Flash Point 96.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Uracil,6-methyl-2,4-dithio- (6CI,7CI,8CI);6-Methyl-2,4-dithiouracil;2,4-Dimercapto-6-methylpyrimidine;6-Methyl-2,4-pyrimidinedithiol;NSC 42028;
PSA 95.76000
LogP 2.11020

2,4(1H,3H)-Pyrimidinedithione,6-methyl- Specification

The 2,4(1H,3H)-Pyrimidinedithione,6-methyl-, with the CAS registry number 6308-38-9, is also known as NSC 42028. Its EINECS registry number is 228-624-0. This chemical's molecular formula is C₅H₆N₂S₂ and molecular weight is 158.24454. Its IUPAC name is called 6-methyl-1H-pyrimidine-2,4-dithione.

Physical properties of 2,4(1H,3H)-Pyrimidinedithione,6-methyl-: (1)ACD/LogP: 0.89; (2)ACD/LogD (pH 5.5): 0.87; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 2.66; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 69.3; (7)ACD/KOC (pH 7.4): 16.55; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)Index of Refraction: 1.722; (11)Molar Refractivity: 44.35 cm³; (12)Molar Volume: 112 cm³; (13)Surface Tension: 79.1 dyne/cm; (14)Density: 1.41 g/cm³; (15)Flash Point: 96.5 °C; (16)Enthalpy of Vaporization: 47.28 kJ/mol; (17)Boiling Point: 236 °C at 760 mmHg; (18)Vapour Pressure: 0.0486 mmHg at 25°C.

Preparation: this chemical can be prepared by 6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one. This reaction will need reagents P₂S₅/SiO₂. The reaction time is 20 min with other conditions of microwave irradiation. The yield is about 40%.

2,4(1H,3H)-Pyrimidinedithione,6-methyl- can be prepared by 6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one

Uses of 2,4(1H,3H)-Pyrimidinedithione,6-methyl-: it can be used to produce N,N'-bis(2-mercapto-6-methyl-pyrimidin-4-yl)propane-1,3-diamine by heating. This reaction will need reagent phenol with reaction time of 3.5 hours. The yield is about 49%.

2,4(1H,3H)-Pyrimidinedithione,6-methyl- can be used to produce N,N'-bis(2-mercapto-6-methyl-pyrimidin-4-yl)propane-1,3-diamine by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=S)NC(=S)N1
(2)InChI: InChI=1S/C5H6N2S2/c1-3-2-4(8)7-5(9)6-3/h2H,1H3,(H2,6,7,8,9)
(3)InChIKey: CQOAJLIZQSKDFC-UHFFFAOYSA-N

Product Name

6-methyl-1H,3H-pyrimidine-2,4-dithione

2,4(1H,3H)-Pyrimidinedithione,6-methyl- Specification

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