Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Chloro-N-tert-butyl-2-thiophenesulfonamide |
EINECS | N/A |
CAS No. | 155731-14-9 | Density | 1.328 g/cm3 |
PSA | 82.79000 | LogP | 3.95000 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H12ClNO2S2 | Boiling Point | 349.073 °C at 760 mmHg |
Molecular Weight | 253.77 | Flash Point | 164.914 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xi:; |
|
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Chlorothiophene-2-sulfonicacid tert-butylamide;N-(tert-Butyl)-5-chlorothiophene-2-sulfonamide; |
Article Data | 5 |
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