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CAS No.: | 53515-34-7 |
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Name: | 2-(1,4-THIAZINAN-4-YL)ACETONITRILE |
Molecular Structure: | |
Formula: | C6H10N2S |
Molecular Weight: | 142.225 |
Synonyms: | 2-(N-Thiomorpholino)acetonitrile;2-(1,4-Thiazinan-4-yl)acetonitrile; |
Density: | 1.111g/cm3 |
Boiling Point: | 262.1 °C at 760 mmHg |
Flash Point: | 112.3 °C |
PSA: | 52.33000 |
LogP: | 0.49668 |
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The 4-Thiomorpholineacetonitrile, with the CAS registry number 53515-34-7, is also known as 2-(N-Thiomorpholino)acetonitrile and 2-(1,4-Thiazinan-4-yl)acetonitrile. This chemical's molecular formula is C6H10N2S and molecular weight is 142.222. What's more, its systematic name is called Thiomorpholin-4-ylacetonitrile.
Physical properties about 4-Thiomorpholineacetonitrile are: (1)ACD/LogP: 0.43; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.23; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 40.4; (8)ACD/KOC (pH 7.4): 40.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 39.41 cm3; (15)Molar Volume: 127.9 cm3; (16)Surface Tension: 43.6 dyne/cm; (17)Density: 1.111 g/cm3; (18)Flash Point: 112.3 °C; (19)Enthalpy of Vaporization: 49.99 kJ/mol; (20)Boiling Point: 262.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0111 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: N#CCN1CCSCC1
(2) InChI: InChI=1/C6H10N2S/c7-1-2-8-3-5-9-6-4-8/h2-6H2
(3) InChIKey: GRFZMNDHVADAFL-UHFFFAOYAX