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N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide

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Name

N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide

EINECS N/A
CAS No. 103989-04-4 Density 1.338 g/cm3
PSA 71.47000 LogP 2.39650
Solubility N/A Melting Point N/A
Formula C11H11NO2S Boiling Point 473.765 °C at 760 mmHg
Molecular Weight 221.28 Flash Point 240.325 °C
Transport Information N/A Appearance Colorless transparent liquid
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 103989-04-4 (N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide) Hazard Symbols N/A
Synonyms

Thiochroman-4-one,6-acetamido- (6CI);N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide;

Article Data 3

N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide Specification

The CAS register number of N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide is 103989-04-4. It also can be called as Acetamide,N-(3,4-dihydro-4-oxo-2H-1-benzothiopyran-6-yl)- and the systematic name about this chemical is N-(4-oxo-3,4-dihydro-2H-thiochromen-6-yl)acetamide. The molecular formula about this chemical is C11H11NO2S and molecular weight is 221.28.

Physical properties about N-(3,4-Dihydro-4-oxo-2H-1-benzothiopyran-6-yl)acetamide are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 26; (5)ACD/BCF (pH 7.4): 26; (6)ACD/KOC (pH 5.5): 355; (7)ACD/KOC (pH 7.4): 355; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 71.47Å2; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 60.992 cm3; (14)Molar Volume: 165.321 cm3; (15)Polarizability: 24.179X10-24cm3; (16)Surface Tension: 60.925 dyne/cm; (17)Flash Point: 240.325 °C; (18)Enthalpy of Vaporization: 73.696 kJ/mol; (19)Boiling Point: 473.765 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc2ccc1SCCC(=O)c1c2)C
(2)InChI: InChI=1/C11H11NO2S/c1-7(13)12-8-2-3-11-9(6-8)10(14)4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
(3)InChIKey: XFKLANBYXQTVOX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C11H11NO2S/c1-7(13)12-8-2-3-11-9(6-8)10(14)4-5-15-11/h2-3,6H,4-5H2,1H3,(H,12,13)
(5)Std. InChIKey: XFKLANBYXQTVOX-UHFFFAOYSA-N

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