4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride supplier

Name
4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride
EINECS
CAS No. 499771-00-5
Density 1.558 g/cm³
Solubility
Melting Point 178.6℃
Formula C₈H₅ClN₂O₂S₂
Boiling Point 408.2 °C at 760 mmHg
Molecular Weight 260.725
Flash Point 200.7 °C
Transport Information
Appearance
Safety
Risk Codes C:Corrosive;
Molecular Structure
Hazard Symbols R34:Causes burns.;
Synonyms 4-(1,2,3-Thiadiazol-4-yl)phenylsulfonyl chlorid;
PSA 96.54000
LogP 3.21340

4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride Specification

The CAS registry number of 4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride is 499771-00-5. This chemical is also named as 4-(1,2,3-Thiadiazol-4-yl)phenylsulfonyl chlorid. In addition, its molecular formula is C₈H₅ClN₂O₂S₂ and molecular weight is 260.72. Its systematic name is also called 4-(1,2,3-thiadiazol-4-yl)benzenesulfonyl chloride.

Physical properties about 4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride are: (1)ACD/LogP: 2.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.77; (4)ACD/LogD (pH 7.4): 2.77; (5)ACD/BCF (pH 5.5): 74.73; (6)ACD/BCF (pH 7.4): 74.73; (7)ACD/KOC (pH 5.5): 763.26; (8)ACD/KOC (pH 7.4): 763.26; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.621; (13)Molar Refractivity: 58.84 cm³; (14)Molar Volume: 167.3 cm³; (15)Surface Tension: 62.3 dyne/cm; (16)Density: 1.558 g/cm³; (17)Flash Point: 200.7 °C; (18)Enthalpy of Vaporization: 63.45 kJ/mol; (19)Boiling Point: 408.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(c1nnsc1)cc2
(2)InChI: InChI=1/C8H5ClN2O2S2/c9-15(12,13)7-3-1-6(2-4-7)8-5-14-11-10-8/h1-5H
(3)InChIKey: IFHXVVWZBVKDQR-UHFFFAOYAF

Product Name

4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride

4-(1,2,3-Thiadiazol-4-yl)benzenesulfonyl chloride Specification

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