Thiourea,N-1,3-benzodioxol-5-yl- supplier

Name
1-(3,4-METHYLENEDIOXYPHENYL)-2-THIOUREA
EINECS
CAS No. 65069-55-8
Article Data8
CAS DataBase
Density 1.524 g/cm³
Solubility
Melting Point 198 °C
Formula C₈H₈N₂O₂S
Boiling Point 329.6 °C at 760 mmHg
Molecular Weight 196.23
Flash Point 153.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Methylenedioxyphenylthiourea;Thiourea,1,3-benzodioxol-5-yl- (9CI);1-(1,3-Benzodioxol-5-yl)thiourea;
PSA 88.60000
LogP 1.84410

Thiourea,N-1,3-benzodioxol-5-yl- Specification

The Thiourea,N-1,3-benzodioxol-5-yl-, with the CAS registry number 65069-55-8, is also known as 1-(3,4-Methylenedioxyphenyl)-2-thiourea. This chemical's molecular formula is C₈H₈N₂O₂S and molecular weight is 196.2263. Its systematic name is called 1-(1,3-benzodioxol-5-yl)thiourea.

Physical properties of Thiourea,N-1,3-benzodioxol-5-yl-: (1)ACD/LogP: 0.94; (2)ACD/LogD (pH 5.5): 0.94; (3)ACD/LogD (pH 7.4): 0.94; (4)ACD/BCF (pH 5.5): 3.03; (5)ACD/BCF (pH 7.4): 3.03; (6)ACD/KOC (pH 5.5): 76.92; (7)ACD/KOC (pH 7.4): 76.92; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.757; (12)Molar Refractivity: 52.84 cm³; (13)Molar Volume: 128.7 cm³; (14)Surface Tension: 90.5 dyne/cm; (15)Density: 1.524 g/cm³; (16)Flash Point: 153.2 °C; (17)Enthalpy of Vaporization: 57.21 kJ/mol; (18)Boiling Point: 329.6 °C at 760 mmHg; (19)Vapour Pressure: 0.000175 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(N)Nc1ccc2OCOc2c1
(2)InChI: InChI=1/C8H8N2O2S/c9-8(13)10-5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H3,9,10,13)
(3)InChIKey: FEDOVBDZDYIYDD-UHFFFAOYAO

Product Name

1-(3,4-METHYLENEDIOXYPHENYL)-2-THIOUREA

Thiourea,N-1,3-benzodioxol-5-yl- Specification

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