1,3-Benzodioxole-5-carbothioamide supplier

Name
1,3-Benzodioxole-5-carbothioamide
EINECS
CAS No. 15884-65-8
Density 1.424 g/cm³
Solubility
Melting Point 183 °C
Formula C₈H₇NO₂S
Boiling Point 321.5 °C at 760 mmHg
Molecular Weight 181.215
Flash Point 148.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thiopiperonylamide;Benzodioxole-5-carbothioic acid amide;Benzo[1,3]dioxole-5-carbothioicacid amide;3,4-(Methylenedioxy)thiobenzamide;Piperonylamide,thio- (8CI);
PSA 76.57000
LogP 1.74980

1,3-Benzodioxole-5-carbothioamide Specification

The 1,3-Benzodioxole-5-carbothioamide is an organic compound with the formula C₈H₇NO₂S. The systematic name of this chemical is 1,3-Benzodioxole-5-carbothioamide. The CAS registry number of this chemical is 15884-65-8. Besides, its molecular weight is 181.21.

Physical properties about 1,3-Benzodioxole-5-carbothioamide are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.6; (4)ACD/BCF (pH 5.5): 9.71; (5)ACD/BCF (pH 7.4): 9.71; (6)ACD/KOC (pH 5.5): 177.14; (7)ACD/KOC (pH 7.4): 177.15; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 53.79 Å²; (12)Index of Refraction: 1.689; (13)Molar Refractivity: 48.6 cm³; (14)Molar Volume: 127.1 cm³; (15)Polarizability: 19.26×10^-24 cm³; (16)Surface Tension: 78.4 dyne/cm; (17)Density: 1.424 g/cm³; (18)Flash Point: 148.3 °C; (19)Enthalpy of Vaporization: 56.33 kJ/mol; (20)Boiling Point: 321.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000296 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)
(2)InChIKey: YHXXBQMLJHUUJU-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12)
(4)Std. InChIKey: YHXXBQMLJHUUJU-UHFFFAOYSA-N

Product Name

1,3-Benzodioxole-5-carbothioamide

1,3-Benzodioxole-5-carbothioamide Specification

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