Benzo[b]thiophene-3(2H)-one 1,1-dioxide supplier

Name
3-OXO-2,3-DIHYDROBENZO[B]THIOPHENE 1,1-DIOXIDE
EINECS 214-429-8
CAS No. 1127-35-1
Article Data23
CAS DataBase
Density 1.498 g/cm³
Solubility
Melting Point 134-135 °C
Formula C₈H₆O₃S
Boiling Point 424.6 °C at 760 mmHg
Molecular Weight 182.2
Flash Point 294.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Oxo-2,3-dihydrobenzo[b]thiophene1,1-dioxide;NSC 403326;
PSA 59.59000
LogP 1.73740

Benzo[b]thiophene-3(2H)-one 1,1-dioxide Specification

This chemical is called Benzo[b]thiophene-3(2H)-one 1,1-dioxide, and its IUPAC name is 1,1-dioxo-1-benzothiophen-3-one. With the molecular formula of C₈H₆O₃S, its molecular weight is 182.20. In addition, the CAS registry number of this chemical is 1127-35-1, and it's often used as organic synthesis agent. Generally, this chemical is stored in the sealed container which should be kept cool and dry.

Other characteristics of the Benzo[b]thiophene-3(2H)-one 1,1-dioxide can be summarised as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.92; (8)ACD/KOC (pH 7.4): 23.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 59.59 Å²; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 42.89 cm³; (15)Molar Volume: 121.5 cm³; (16)Polarizability: 17×10^-24cm³; (17)Surface Tension: 59.2 dyne/cm; (18)Density: 1.498 g/cm³; (19)Flash Point: 294.2 °C; (20)Enthalpy of Vaporization: 67.91 kJ/mol; (21)Boiling Point: 424.6 °C at 760 mmHg; (22)Vapour Pressure: 2.05E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1S(=O)(=O)C2
(2)InChI: InChI=1/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2
(3)InChIKey: LXCYNALXWGQUIK-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C8H6O3S/c9-7-5-12(10,11)8-4-2-1-3-6(7)8/h1-4H,5H2
(5)Std. InChIKey: LXCYNALXWGQUIK-UHFFFAOYSA-N

Product Name

3-OXO-2,3-DIHYDROBENZO[B]THIOPHENE 1,1-DIOXIDE

Benzo[b]thiophene-3(2H)-one 1,1-dioxide Specification

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