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Name |
Benzo[b]thiophen-3(2H)-one,5-chloro-4,7-dimethyl- |
EINECS | N/A |
CAS No. | 82-61-1 | Density | 1.337 g/cm3 |
PSA | 42.37000 | LogP | 3.24520 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9ClOS | Boiling Point | 367 °C at 760 mmHg |
Molecular Weight | 212.6959 | Flash Point | 175.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Chloro-4,7-dimethyl-1-benzothiophen-3(2H)-one; |
The CAS registry number of Benzo[b]thiophen-3(2H)-one,5-chloro-4,7-dimethyl- is 82-61-1. This chemical's molecular formula is C10H9ClOS and molecular weight is 212.6959. What's more, its systematic name is called 5-Chloro-4,7-dimethyl-1-benzothiophen-3(2H)-one.
Physical properties about Benzo[b]thiophen-3(2H)-one,5-chloro-4,7-dimethyl- are: (1)ACD/LogP: 4.01; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 657.96; (6)ACD/BCF (pH 7.4): 657.96; (7)ACD/KOC (pH 5.5): 3621.34; (8)ACD/KOC (pH 7.4): 3621.34; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 42.37 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 56.65 cm3; (15)Molar Volume: 159 cm3; (16)Polarizability: 22.45×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.337 g/cm3; (19)Flash Point: 175.7 °C; (20)Enthalpy of Vaporization: 61.34 kJ/mol; (21)Boiling Point: 367 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c(Cl)cc(C)c2SCC(=O)c12
(2) InChI: InChI=1/C10H9ClOS/c1-5-3-7(11)6(2)9-8(12)4-13-10(5)9/h3H,4H2,1-2H3
(3) InChIKey: CHAGSWXQCQQQTL-UHFFFAOYAH