Thiourea,N-[(tetrahydro-2-furanyl)methyl]- supplier

Name
1-(2-TETRAHYDROFURFURYL)-2-THIOUREA
EINECS
CAS No. 66892-25-9
Article Data4
CAS DataBase
Density 1.188 g/cm³
Solubility
Melting Point 78-80 °C
Formula C₆H₁₂N₂OS
Boiling Point 278.9 °C at 760 mmHg
Molecular Weight 160.24
Flash Point 122.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 1-(Tetrahydrofuran-2-ylmethyl)thiourea;
PSA 79.37000
LogP 1.08980

Thiourea,N-[(tetrahydro-2-furanyl)methyl]- 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

Product Name

1-(2-TETRAHYDROFURFURYL)-2-THIOUREA

Thiourea,N-[(tetrahydro-2-furanyl)methyl]- Specification

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