Basic Information | Post buying leads | Suppliers |
Name |
Benzo[b]thiophene,5-chloro-3-methyl-, 1,1-dioxide |
EINECS | N/A |
CAS No. | 17514-66-8 | Density | 1.447 g/cm3 |
PSA | 42.52000 | LogP | 3.56890 |
Solubility | N/A | Melting Point |
168 °C |
Formula | C9H7ClO2S | Boiling Point | 397.4 °C at 760 mmHg |
Molecular Weight | 214.672 | Flash Point | 194.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
5-Chloro-3-methyl-1H-benzo[b]thiophene-1,1-dione; |
The Benzo[b]thiophene,5-chloro-3-methyl-, 1,1-dioxide, with the CAS registry number 17514-66-8, is also known as 5-Chloro-3-methyl-1H-benzo[b]thiophene-1,1-dione. This chemical's molecular formula is C9H7ClO2S and molecular weight is 214.6687. What's more, its systematic name is called 5-Chloro-3-methyl-1-benzothiophene 1,1-dioxide.
Physical properties about Benzo[b]thiophene,5-chloro-3-methyl-, 1,1-dioxide are: (1)ACD/LogP: 2.73; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 42.52 Å2; (7)Index of Refraction: 1.617; (8)Molar Refractivity: 51.91 cm3; (9)Molar Volume: 148.3 cm3; (10)Polarizability: 20.58×10-24 cm3; (11)Surface Tension: 49.3 dyne/cm; (12)Density: 1.447 g/cm3; (13)Flash Point: 194.2 °C; (14)Enthalpy of Vaporization: 62.26 kJ/mol; (15)Boiling Point: 397.4 °C at 760 mmHg; (16)Vapour Pressure: 3.64E-06 mmHg at 25 °C; (17)Melting Point: 168 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc\2c(cc1)S(=O)(=O)/C=C/2C
(2) InChI: InChI=1/C9H7ClO2S/c1-6-5-13(11,12)9-3-2-7(10)4-8(6)9/h2-5H,1H3
(3) InChIKey: GYZFDGWHPWNEKL-UHFFFAOYAI