4-Thiomorpholineacetonitrile supplier

Name
2-(1,4-THIAZINAN-4-YL)ACETONITRILE
EINECS
CAS No. 53515-34-7
Density 1.111g/cm³
Solubility
Melting Point
Formula C₆H₁₀N₂S
Boiling Point 262.1 °C at 760 mmHg
Molecular Weight 142.225
Flash Point 112.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(N-Thiomorpholino)acetonitrile;2-(1,4-Thiazinan-4-yl)acetonitrile;
PSA 52.33000
LogP 0.49668

4-Thiomorpholineacetonitrile Specification

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

Product Name

2-(1,4-THIAZINAN-4-YL)ACETONITRILE

4-Thiomorpholineacetonitrile Specification

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