2(1H)-Pyridinethione,3-methyl- supplier

Name
3-Methyl-2(1H)-Pyridinethione
EINECS
CAS No. 18368-66-6
Article Data12
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 163-165 °C
Formula C₆H₇NS
Boiling Point 191.881 °C at 760 mmHg
Molecular Weight 125.194
Flash Point 64.172 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Methyl-2-pyridthione;3-Methyl-2-pyridinethiol;
PSA 47.88000
LogP 2.05260

2(1H)-Pyridinethione,3-methyl- Specification

This chemical is called 2(1H)-Pyridinethione,3-methyl-, and its systematic name is 3-methyl-3H-pyridine-2-thione. With the molecular formula of C₆H₇NS, its molecular weight is 125.19148. The CAS registry number of this chemical is 18368-66-6. Additionally, its product category is Pyridine.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 0.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.488; (4)ACD/LogD (pH 7.4): 0.488; (5)ACD/BCF (pH 5.5): 1.384; (6)ACD/BCF (pH 7.4): 1.384; (7)ACD/KOC (pH 5.5): 43.92; (8)ACD/KOC (pH 7.4): 43.92; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.45 Å²; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 37.838 cm³; (15)Molar Volume: 112.757 cm³; (16)Polarizability: 15×10^-24cm³; (17)Surface Tension: 33.982 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 64.172 °C; (20)Enthalpy of Vaporization: 41.056 kJ/mol; (21)Boiling Point: 191.881 °C at 760 mmHg; (22)Vapour Pressure: 0.7 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC1C=CC=NC1=S
2.InChI: InChI=1/C6H7NS/c1-5-3-2-4-7-6(5)8/h2-5H,1H3
3.InChIKey: MZLDQKWPRWWQNS-UHFFFAOYAT

Product Name

3-Methyl-2(1H)-Pyridinethione

2(1H)-Pyridinethione,3-methyl- Specification

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