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| CAS No.: | 53135-95-8 |
|---|---|
| Name: | 5-(methylsulfanyl)naphthalene-1-sulfonyl chloride |
| Molecular Structure: | |
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| Formula: | C11H9ClO2S2 |
| Molecular Weight: | 272.771 |
| Synonyms: | 5-(Methylthio)-1-naphthalenesulfonyl chloride; |
| Density: | 1.47 g/cm3 |
| Boiling Point: | 411.5 °C at 760 mmHg |
| Flash Point: | 202.7 °C |
| PSA: | 67.82000 |
| LogP: | 4.57000 |
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Specification
The 1-Naphthalenesulfonylchloride, 5-(methylthio)-, with the CAS registry number 53135-95-8, is also known as 5-(Methylthio)-1-naphthalenesulfonyl chloride. This chemical's molecular formula is C11H9ClO2S2 and molecular weight is 272.771. What's more, its systematic name is called 5-(Methylsulfanyl)naphthalene-1-sulfonyl chloride.
Physical properties about 1-Naphthalenesulfonylchloride, 5-(methylthio)- are: (1)ACD/LogP: 3.70; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.7; (4)ACD/LogD (pH 7.4): 3.7; (5)ACD/BCF (pH 5.5): 384.61; (6)ACD/BCF (pH 7.4): 384.61; (7)ACD/KOC (pH 5.5): 2465.83; (8)ACD/KOC (pH 7.4): 2465.83; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.82 Å2; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 70.59 cm3; (15)Molar Volume: 185.4 cm3; (16)Polarizability: 27.98×10-24 cm3; (17)Surface Tension: 60.7 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 202.7 °C; (20)Enthalpy of Vaporization: 63.82 kJ/mol; (21)Boiling Point: 411.5 °C at 760 mmHg; (22)Vapour Pressure: 1.32E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClS(=O)(=O)c1cccc2c1cccc2SC
(2) InChI: InChI=1/C11H9ClO2S2/c1-15-10-6-2-5-9-8(10)4-3-7-11(9)16(12,13)14/h2-7H,1H3
(3) InChIKey: RDMPPPXDERTAFG-UHFFFAOYAB