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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 | 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 |
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