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209592-91-6

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Basic Information
CAS No.: 209592-91-6
Name: 4-(2-Thienyl)benzenesulfonyl chloride, 96%
Article Data: 3
Molecular Structure:
Molecular Structure of 209592-91-6 (4-(2-Thienyl)benzenesulfonyl chloride, 96%)
Formula: C10H7ClO2S2
Molecular Weight: 258.7444
Synonyms: 4-(2-Thienyl)benzenesulfonyl chloride;
Density: 1.43 g/cm3
Melting Point: 107-108℃
Boiling Point: 373.8 °C at 760 mmHg
Flash Point: 179.8 °C
PSA: 70.76000
LogP: 4.42340
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Specification

The CAS registry number of Benzenesulfonyl chloride, 4-(2-thienyl)- is 209592-91-6. Its molecular formula is C10H7ClO2S2 and molecular weight is 258.7444. Its systematic name is called 4-(2-Thienyl)benzenesulfonyl chloride.

Physical properties about Benzenesulfonyl chloride, 4-(2-thienyl)- are: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 647.15; (6)ACD/BCF (pH 7.4): 647.15; (7)ACD/KOC (pH 5.5): 3578.65; (8)ACD/KOC (pH 7.4): 3578.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 63.24 cm3; (14)Molar Volume: 180.8 cm3; (15)Surface Tension: 49.2 dyne/cm; (16)Density: 1.43 g/cm3; (17)Flash Point: 179.8 °C; (18)Enthalpy of Vaporization: 59.67 kJ/mol; (19)Boiling Point: 373.8 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c1ccc(cc1)c2cccs2
(2)InChI: InChI=1/C10H7ClO2S2/c11-15(12,13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H
(3)InChIKey: IRDZCMUQNGEQEP-UHFFFAOYAC