Benzenesulfonylchloride, 4-(2-methyl-4-thiazolyl)- supplier

Name
4-(2-METHYL-1,3-THIAZOL-4-YL)BENZENESULFONYL CHLORIDE
EINECS
CAS No. 852180-73-5
Density 1.438 g/cm³
Solubility
Melting Point 111 °C
Formula C₁₀H₈ClNO₂S₂
Boiling Point 409.1 °C at 760 mmHg
Molecular Weight 273.76
Flash Point 201.2 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols C
Synonyms 4-(2-Methyl-1,3-thiazol-4-yl)benzenesulfonylchloride;4-(2-Methylthiazol-4-yl)benzenesulfonyl chloride;
PSA 83.65000
LogP 4.12680

Benzenesulfonylchloride, 4-(2-methyl-4-thiazolyl)- Specification

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

Product Name

4-(2-METHYL-1,3-THIAZOL-4-YL)BENZENESULFONYL CHLORIDE

Benzenesulfonylchloride, 4-(2-methyl-4-thiazolyl)- Specification

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