1-Naphthalenesulfonylchloride, 5-(methylthio)- supplier

Name
5-(methylsulfanyl)naphthalene-1-sulfonyl chloride
EINECS
CAS No. 53135-95-8
Density 1.47 g/cm³
Solubility
Melting Point
Formula C₁₁H₉ClO₂S₂
Boiling Point 411.5 °C at 760 mmHg
Molecular Weight 272.771
Flash Point 202.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(Methylthio)-1-naphthalenesulfonyl chloride;
PSA 67.82000
LogP 4.57000

1-Naphthalenesulfonylchloride, 5-(methylthio)- 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^-24cm³; (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

Product Name

5-(methylsulfanyl)naphthalene-1-sulfonyl chloride

1-Naphthalenesulfonylchloride, 5-(methylthio)- Specification

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