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CAS No.: | 852180-73-5 |
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Name: | 4-(2-METHYL-1,3-THIAZOL-4-YL)BENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C10H8ClNO2S2 |
Molecular Weight: | 273.76 |
Synonyms: | 4-(2-Methyl-1,3-thiazol-4-yl)benzenesulfonylchloride;4-(2-Methylthiazol-4-yl)benzenesulfonyl chloride; |
Density: | 1.438 g/cm3 |
Melting Point: | 111 °C |
Boiling Point: | 409.1 °C at 760 mmHg |
Flash Point: | 201.2 °C |
Hazard Symbols: | C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 83.65000 |
LogP: | 4.12680 |
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The Benzenesulfonylchloride, 4-(2-methyl-4-thiazolyl)-, with the CAS registry number 852180-73-5, is also known as 4-(2-Methylthiazol-4-yl)benzenesulfonyl chloride. This chemical's molecular formula is C10H8ClNO2S2 and molecular weight is 273.76. What's more, its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonyl chloride.
Physical properties of Benzenesulfonylchloride, 4-(2-methyl-4-thiazolyl)- are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.27; (6)ACD/BCF (pH 7.4): 48.27; (7)ACD/KOC (pH 5.5): 558.21; (8)ACD/KOC (pH 7.4): 558.24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.65 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 65.66 cm3; (15)Molar Volume: 190.3 cm3; (16)Polarizability: 26.03×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 201.2 °C; (20)Enthalpy of Vaporization: 63.55 kJ/mol; (21)Boiling Point: 409.1 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)S(=O)(=O)Cl
(2)InChI: InChI=1S/C10H8ClNO2S2/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3
(3)InChIKey: JNGQNRAIASLBQA-UHFFFAOYSA-N