2(1H)-Pyrimidinethione,4-methyl- supplier

Name
2-MERCAPTO-4-METHYLPYRIMIDINE
EINECS
CAS No. 35071-17-1
Article Data13
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 200 °C
Formula C₅H₆N₂S
Boiling Point 201.7 °C at 760 mmHg
Molecular Weight 126.182
Flash Point 75.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrimidinethiol,4-methyl- (6CI,7CI);2-Mercapto-4-methylpyrimidine;4-Methyl-2(1H)-pyrimidinethione;4-Methyl-2-mercaptopyrimidine;4-Methyl-2-pyrimidinethiol;4-Methyl-2-thiopyrimidine;4-Methylpyrimidine-2-thione;NSC 314275;
PSA 60.77000
LogP 1.44760

2(1H)-Pyrimidinethione,4-methyl- Specification

This chemical is called 2(1H)-Pyrimidinethione,4-methyl-, and its IUPAC name is 6-methyl-1H-pyrimidine-2-thione. With the molecular formula of C₅H₆N₂S, its molecular weight is 126.17954. The CAS registry number of this chemical is 35071-17-1. Additionally, its classification codes are Agricultural Chemical; Nematocide.

Other characteristics of the 2(1H)-Pyrimidinethione,4-methyl- can be summarised as followings: (1)ACD/LogP: -0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -2.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 47.69 Å²; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 36.28 cm³; (15)Molar Volume: 101.3 cm³; (16)Polarizability: 14.38×10^-24cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.24 g/cm³; (19)Flash Point: 75.8 °C; (20)Enthalpy of Vaporization: 43.79 kJ/mol; (21)Boiling Point: 201.7 °C at 760 mmHg; (22)Vapour Pressure: 0.304 mmHg at 25°C.

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

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intramuscular	> 500mg/kg (500mg/kg)		Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 18, Pg. 75, 1986.

Product Name

2-MERCAPTO-4-METHYLPYRIMIDINE

2(1H)-Pyrimidinethione,4-methyl- Specification

Related Products

Hot Products