Product Name

  • Name

    5-Chloro-N-tert-butyl-2-thiophenesulfonamide

  • EINECS
  • CAS No. 155731-14-9
  • Article Data5
  • CAS DataBase
  • Density 1.328 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H12ClNO2S2
  • Boiling Point 349.073 °C at 760 mmHg
  • Molecular Weight 253.77
  • Flash Point 164.914 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes  Xi:;
  • Molecular Structure Molecular Structure of 155731-14-9 (5-Chloro-N-tert-butyl-2-thiophenesulfonamide)
  • Hazard Symbols IrritantXi
  • Synonyms 5-Chlorothiophene-2-sulfonicacid tert-butylamide;N-(tert-Butyl)-5-chlorothiophene-2-sulfonamide;
  • PSA 82.79000
  • LogP 3.95000

5-Chloro-N-tert-butyl-2-thiophenesulfonamide Specification

The 5-Chloro-N-tert-butyl-2-thiophenesulfonamide, with CAS registry number 155731-14-9, belongs to the following product categories: (1)API intermediates; (2)Thiophene intermediates. It has the systematic name of N-tert-butyl-5-chlorothiophene-2-sulfonamide. And the chemical formula of this chemical is C8H12ClNO2S2.

Physical properties of 5-Chloro-N-tert-butyl-2-thiophenesulfonamide: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 93; (6)ACD/BCF (pH 7.4): 93; (7)ACD/KOC (pH 5.5): 891; (8)ACD/KOC (pH 7.4): 891; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 82.79 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 60.716 cm3; (15)Molar Volume: 191.026 cm3; (16)Polarizability: 24.07×10-24cm3; (17)Surface Tension: 43.322 dyne/cm; (18)Enthalpy of Vaporization: 59.353 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1sc(Cl)cc1)NC(C)(C)C
(2)InChI: InChI=1/C8H12ClNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
(3)InChIKey: VPZSRWXWBIVADA-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H12ClNO2S2/c1-8(2,3)10-14(11,12)7-5-4-6(9)13-7/h4-5,10H,1-3H3
(5)Std. InChIKey: VPZSRWXWBIVADA-UHFFFAOYSA-N

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