Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl] CAS NO.163515-14-8

The Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl]-, with CAS registry number 163515-14-8, has the systematic name of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₁₂H₁₈ClNO₂S.

Physical properties of Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl]-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 352; (8)ACD/KOC (pH 7.4): 352; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 73.715 cm³; (15)Molar Volume: 230.725 cm³; (16)Polarizability: 29.223×10^-24cm³; (17)Surface Tension: 42.023 dyne/cm; (18)Density: 1.195 g/cm³; (19)Flash Point: 185.368 °C; (20)Enthalpy of Vaporization: 63.136 kJ/mol; (21)Boiling Point: 382.894 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl]- is harmful by inhalation and if swallowed. And it may cause sensitization by inhalation and skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1csc(C)c1N([C@@H](C)COC)C(=O)CCl
(2)InChI: InChI=1/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1
(3)InChIKey: JLYFCTQDENRSOL-VIFPVBQEBL
(4)Std. InChI: InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1
(5)Std. InChIKey: JLYFCTQDENRSOL-VIFPVBQESA-N

The Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl]-, with CAS registry number 163515-14-8, has the systematic name of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₁₂H₁₈ClNO₂S.

Physical properties of Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl]-: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 352; (8)ACD/KOC (pH 7.4): 352; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 73.715 cm³; (15)Molar Volume: 230.725 cm³; (16)Polarizability: 29.223×10^-24cm³; (17)Surface Tension: 42.023 dyne/cm; (18)Density: 1.195 g/cm³; (19)Flash Point: 185.368 °C; (20)Enthalpy of Vaporization: 63.136 kJ/mol; (21)Boiling Point: 382.894 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Acetamide,2-chloro-N-(2,4-dimethyl-3-thienyl)-N-[(1S)-2-methoxy-1-methylethyl]- is harmful by inhalation and if swallowed. And it may cause sensitization by inhalation and skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1csc(C)c1N([C@@H](C)COC)C(=O)CCl
(2)InChI: InChI=1/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1
(3)InChIKey: JLYFCTQDENRSOL-VIFPVBQEBL
(4)Std. InChI: InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3/t9-/m0/s1
(5)Std. InChIKey: JLYFCTQDENRSOL-VIFPVBQESA-N