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2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]-

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Name

2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]-

EINECS N/A
CAS No. 166964-34-7 Density 1.532 g/cm3
PSA 99.86000 LogP 4.73070
Solubility N/A Melting Point 138 °C
Formula C12H9Cl2NO3S2 Boiling Point 557.1 °C at 760 mmHg
Molecular Weight 350.24 Flash Point 290.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  C:Corrosive;
Molecular Structure Molecular Structure of 166964-34-7 (5-(4-CHLOROBENZAMIDOMETHYL)THIOPHENE-2-SULPHONYL CHLORIDE) Hazard Symbols CorrosiveC
Synonyms

5-(((4-Chlorobenzoyl)amino)methyl)-2-thiophenesulfonylchloride;5-[(4-Chlorobenzamido)methyl]thiophene-2-sulfonyl chloride;5-[N-(4-Chlorobenzoyl)aminomethyl]thiophene-2-sulfonylchloride;5-[[[1-(4-Chlorophenyl)methanoyl]amino]methyl]thiophene-2-sulfonylchloride;

Article Data 1

2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]- Specification

The 2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]-, with CAS registry number 166964-34-7, has the systematic name of 5-({[(4-chlorophenyl)carbonyl]amino}methyl)thiophene-2-sulfonyl chloride. This chemical may destroy living tissue on contact. And the chemical formula of this chemical is C12H9Cl2NO3S2.

Physical properties of 2-Thiophenesulfonylchloride, 5-[[(4-chlorobenzoyl)amino]methyl]-: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.16; (4)ACD/LogD (pH 7.4): 3.16; (5)ACD/BCF (pH 5.5): 147.83; (6)ACD/BCF (pH 7.4): 147.83; (7)ACD/KOC (pH 5.5): 1243.71; (8)ACD/KOC (pH 7.4): 1243.71; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 91.07 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 81.1 cm3; (15)Molar Volume: 228.5 cm3; (16)Polarizability: 32.15×10-24cm3; (17)Surface Tension: 57.6 dyne/cm; (18)Density: 1.532 g/cm3; (19)Flash Point: 290.7 °C; (20)Enthalpy of Vaporization: 83.88 kJ/mol; (21)Boiling Point: 557.1 °C at 760 mmHg; (22)Vapour Pressure: 1.91E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(Cl)(=O)c1sc(cc1)CNC(=O)c2ccc(Cl)cc2
(2)InChI: InChI=1/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
(3)InChIKey: HWAXMFYECKQLDX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H9Cl2NO3S2/c13-9-3-1-8(2-4-9)12(16)15-7-10-5-6-11(19-10)20(14,17)18/h1-6H,7H2,(H,15,16)
(5)Std. InChIKey: HWAXMFYECKQLDX-UHFFFAOYSA-N

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