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66892-25-9

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Basic Information
CAS No.: 66892-25-9
Name: 1-(2-TETRAHYDROFURFURYL)-2-THIOUREA
Article Data: 4
Molecular Structure:
Molecular Structure of 66892-25-9 (1-(2-TETRAHYDROFURFURYL)-2-THIOUREA)
Formula: C6H12N2OS
Molecular Weight: 160.24
Synonyms: 1-(Tetrahydrofuran-2-ylmethyl)thiourea;
Density: 1.188 g/cm3
Melting Point: 78-80 °C
Boiling Point: 278.9 °C at 760 mmHg
Flash Point: 122.4 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 79.37000
LogP: 1.08980
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Specification

The Thiourea,N-[(tetrahydro-2-furanyl)methyl]-, with the CAS registry number of 66892-25-9, is also known as 1-(Tetrahydrofuran-2-ylmethyl)thiourea. Its molecular formula is C6H12N2OS and molecular weight is 160.24. What's more, its IUPAC name is Oxolan-2-ylmethylthiourea.

Physical properties about the Thiourea,N-[(tetrahydro-2-furanyl)methyl]- are: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.7; (4)ACD/LogD (pH 7.4): -0.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.86; (8)ACD/KOC (pH 7.4): 9.86; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 47.8 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 43.79 cm3; (15)Molar Volume: 134.8 cm3; (16)Surface Tension: 58.2 dyne/cm; (17)Density: 1.188 g/cm3; (18)Flash Point: 122.4 °C; (19)Enthalpy of Vaporization: 51.75 kJ/mol; (20)Boiling Point: 278.9 °C at 760 mmHg; (21)Vapour Pressure: 0.00416 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(NCC1OCCC1)N
(2) InChI: InChI=1/C6H12N2OS/c7-6(10)8-4-5-2-1-3-9-5/h5H,1-4H2,(H3,7,8,10)
(3) InChIKey: DYYSJNQVLWANCC-UHFFFAOYAD