Ethanone,2-bromo-1-(4-thiomorpholinyl)- supplier

Name
4-(BROMOACETYL) THIOMORPHOLINE
EINECS
CAS No. 177785-12-5
Density 1.584 g/cm³
Solubility
Melting Point
Formula C₆H₁₀BrNOS
Boiling Point 342.5 °C at 760 mmHg
Molecular Weight 224.12
Flash Point 160.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiomorpholine,4-(bromoacetyl)- (9CI);4-Bromoacetylthiomorpholine;2-Bromo-1-thiomorpholino-ethanone;
PSA 45.61000
LogP 0.89460

Ethanone,2-bromo-1-(4-thiomorpholinyl)- Specification

The Ethanone,2-bromo-1-(4-thiomorpholinyl)-, with the CAS registry number 177785-12-5, is also known as 4-Bromoacetylthiomorpholine. This chemical's molecular formula is C₆H₁₀BrNOS and molecular weight is 224.12. What's more, its systematic name is 2-bromo-1-thiomorpholino-ethanone.

Physical properties of Ethanone,2-bromo-1-(4-thiomorpholinyl)- are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.61 Å²; (9)Index of Refraction: 1.58; (10)Molar Refractivity: 47.11 cm³; (11)Molar Volume: 141.4 cm³; (12)Polarizability: 18.67×10^-24cm³; (13)Surface Tension: 50.7 dyne/cm; (14)Density: 1.584 g/cm³; (15)Flash Point: 160.9 °C; (16)Enthalpy of Vaporization: 58.63 kJ/mol; (17)Boiling Point: 342.5 °C at 760 mmHg; (18)Vapour Pressure: 7.5E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CBr)N1CCSCC1
(2)InChI: InChI=1S/C6H10BrNOS/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2
(3)InChIKey: QCSRXPNQSKEIOB-UHFFFAOYSA-N

Product Name

4-(BROMOACETYL) THIOMORPHOLINE

Ethanone,2-bromo-1-(4-thiomorpholinyl)- Specification

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