2(1H)-Pyridinethione,1-methyl- supplier

Name
1-methylpyridine-2-thione
EINECS
CAS No. 2044-27-1
Article Data3
CAS DataBase
Density 1.16 g/cm³
Solubility
Melting Point
Formula C₆H₇NS
Boiling Point 187.6 °C at 760 mmHg
Molecular Weight 125.194
Flash Point 67.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Methyl-2(1H)-pyridinethione;1-Methyl-2(1H)-pyridothione;1-Methyl-2-pyridinethione;1-Methyl-2-thiopyridone;N-Methyl-2-pyridinethione;N-Methyl-2-thiopyridone;NSC 157922;
PSA 37.02000
LogP 1.75460

2(1H)-Pyridinethione,1-methyl- Specification

This chemical is called 2(1H)-Pyridinethione,1-methyl-, and its IUPAC name is 1-methylpyridine-2-thione. With the molecular formula of C₆H₇NS, its molecular weight is 125.19. The CAS registry number of this chemical is 2044-27-1. Additionally, its classificaiton code is Drug / Therapeutic Agent.

Other characteristics of the 2(1H)-Pyridinethione,1-methyl- can be summarised as followings: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.08; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.27; (8)ACD/KOC (pH 7.4): 26.27; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.33 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 38.59 cm³; (15)Molar Volume: 107.5 cm³; (16)Polarizability: 15.29×10^-24cm³; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 67.2 °C; (20)Enthalpy of Vaporization: 42.38 kJ/mol; (21)Boiling Point: 187.6 °C at 760 mmHg; (22)Vapour Pressure: 0.626 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C1/C=C\C=C/N1C
2.InChI: InChI=1/C6H7NS/c1-7-5-3-2-4-6(7)8/h2-5H,1H3
3.InChIKey: UHOAUPKGWPQNDM-UHFFFAOYAE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	300mg/kg (300mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 93, Pg. 143, 1953.

Product Name

1-methylpyridine-2-thione

2(1H)-Pyridinethione,1-methyl- Specification

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