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Name |
2(3H)-Thiazolethione,3,4-dimethyl- |
EINECS | N/A |
CAS No. | 5316-79-0 | Density | 1.29 g/cm3 |
PSA | 65.26000 | LogP | 2.12450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H7NS2 | Boiling Point | 205.6 °C at 760 mmHg |
Molecular Weight | 145.249 | Flash Point | 78.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Thiazoline-2-thione,3,4-dimethyl- (6CI,7CI,8CI);3,4-Dimethyl-4-thiazoline-2-thione;NSC 306416;3,4-Dimethylthiazoline-2-thione; |
Article Data | 12 |
This chemical is called 2(3H)-Thiazolethione,3,4-dimethyl-, and its IUPAC name is 3,4-dimethyl-1,3-thiazole-2-thione. With the molecular formula of C5H7NS2, its molecular weight is 145.25. The CAS registry number of this chemical is 5316-79-0.
Other characteristics of the 2(3H)-Thiazolethione,3,4-dimethyl- can be summarised as followings: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.22; (6)ACD/BCF (pH 7.4): 5.22; (7)ACD/KOC (pH 5.5): 113.54; (8)ACD/KOC (pH 7.4): 113.54; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 60.63 Å2; (13)Index of Refraction: 1.672; (14)Molar Refractivity: 41.83 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 16.58×10-24cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.29 g/cm3; (19)Flash Point: 78.1 °C; (20)Enthalpy of Vaporization: 44.18 kJ/mol; (21)Boiling Point: 205.6 °C at 760 mmHg; (22)Vapour Pressure: 0.248 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: S=C1S\C=C(/N1C)C
2.InChI: InChI=1/C5H7NS2/c1-4-3-8-5(7)6(4)2/h3H,1-2H3
3.InChIKey: YLEWVHJVGDKCNJ-UHFFFAOYAT