CAS No.13654-62-1,ethylsulfonylacetonitrile Suppliers

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Basic Information

Molecular Structure:
CAS No.:	13654-62-1
Name:	ethylsulfonylacetonitrile
Article Data:	3

Formula:	C₄H₇NO₂S
Molecular Weight:	133.171
Synonyms:	Cyanomethyl ethyl sulfone;Acetonitrile, (ethylsulfonyl)- (8CI,9CI);
EINECS:	1533716-785-6
Density:	1.222 g/cm³
Boiling Point:	343.022 °C at 760 mmHg
Flash Point:	161.254 °C
PSA:	66.31000
LogP:	1.02548

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Specification

The (Ethylsulfonyl)acetonitrile, with the CAS registry number 13654-62-1, is also known as Cyanomethyl ethyl sulfone. This chemical's molecular formula is C₄H₇NO₂S and molecular weight is 133.17. What's more, its systematic name is (Ethylsulfonyl)acetonitrile.

Physical properties of (Ethylsulfonyl)acetonitrile are: (1)ACD/LogP: -0.888; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.89; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 7.83; (8)ACD/KOC (pH 7.4): 7.83; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 66.31 Å²; (13)Index of Refraction: 1.45; (14)Molar Refractivity: 29.32 cm³; (15)Molar Volume: 108.978 cm³; (16)Polarizability: 11.623×10^-24cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.222 g/cm³; (19)Flash Point: 161.254 °C; (20)Enthalpy of Vaporization: 58.684 kJ/mol; (21)Boiling Point: 343.022 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCS(=O)(=O)CC
(2)Std. InChI: InChI=1S/C4H7NO2S/c1-2-8(6,7)4-3-5/h2,4H2,1H3
(3)Std. InChIKey: UMCQAGDGGSOQGK-UHFFFAOYSA-N