CAS No.680185-48-2,4-[3,3-Bis(2-methoxyethyl)ureido]benzenesulfonyl chloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	680185-48-2
Name:	4-[3,3-Bis(2-methoxyethyl)ureido]benzenesulfonyl chloride

Formula:	C₁₃H₁₉ClN₂O₅S
Molecular Weight:	350.82
Synonyms:	4-[3,3-Bis(2-methoxyethyl)ureido]benzenesulfonyl chloride;
Density:	1.34 g/cm³
Boiling Point:	518.1 °C at 760 mmHg
Flash Point:	267.1 °C
PSA:	93.32000
LogP:	2.89460

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Specification

This chemical is called Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]-, and its systematic name is 4-{[Bis(2-methoxyethyl)carbamoyl]amino}benzenesulfonyl chloride. With the molecular formula of C₁₃H₁₉ClN₂O₅S, its molecular weight is 350.82. The CAS registry number of the chemical is 680185-48-2.

Other characteristics of Benzenesulfonylchloride, 4-[[[bis(2-methoxyethyl)amino]carbonyl]amino]- can be summarised as followings: (1)ACD/LogP: 1.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.47; (4)ACD/LogD (pH 7.4): 1.47; (5)ACD/BCF (pH 5.5): 7.73; (6)ACD/BCF (pH 7.4): 7.73; (7)ACD/KOC (pH 5.5): 150.42; (8)ACD/KOC (pH 7.4): 150.41; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 84.53 Å²; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 83.94 cm³; (15)Molar Volume: 261.6 cm³; (16)Polarizability: 33.27×10^-24cm³; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 267.1 °C; (20)Enthalpy of Vaporization: 79.05 kJ/mol; (21)Boiling Point: 518.1 °C at 760 mmHg; (22)Vapour Pressure: 7.75E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(Cl)(=O)c1ccc(NC(=O)N(CCOC)CCOC)cc1
2.InChI: InChI=1/C13H19ClN2O5S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
3.InChIKey: KJQBIEGSQVUCFA-UHFFFAOYAN
4.Std. InChI: InChI=1S/C13H19ClN2O5S/c1-20-9-7-16(8-10-21-2)13(17)15-11-3-5-12(6-4-11)22(14,18)19/h3-6H,7-10H2,1-2H3,(H,15,17)
5.Std. InChIKey: KJQBIEGSQVUCFA-UHFFFAOYSA-N