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102353-42-4

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Basic Information
CAS No.: 102353-42-4
Name: 1-(2-METHOXYETHYL)-2-THIOUREA
Article Data: 2
Molecular Structure:
Molecular Structure of 102353-42-4 (1-(2-METHOXYETHYL)-2-THIOUREA)
Formula: C4H10N2OS
Molecular Weight: 134.202
Synonyms: Thiourea,(2-methoxyethyl)- (9CI);2-Methoxyethylthiourea;N-(2-Methoxyethyl)-2-thiourea;N-(2-Methoxyethyl)thiourea;N-[2-(Methyloxy)ethyl]thiourea;
Density: 1.133 g/cm3
Melting Point: 74-76 °C
Boiling Point: 216.8 °C at 760 mmHg
Flash Point: 84.9 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 79.37000
LogP: 0.55720
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Specification

The Thiourea,N-(2-methoxyethyl)-, with the CAS registry number 102353-42-4, is also known as 2-Methoxyethyl thiourea. This chemical's molecular formula is C4H10N2OS and molecular weight is 134.2. What's more, its systematic name is 1-(2-methoxyethyl)thiourea.

Physical properties of Thiourea,N-(2-methoxyethyl)- 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): 9.91; (8)ACD/KOC (pH 7.4): 9.91; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 47.8 Å2; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 36.74 cm3; (15)Molar Volume: 118.4 cm3; (16)Polarizability: 14.56×10-24 cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 84.9 °C; (20)Enthalpy of Vaporization: 45.31 kJ/mol; (21)Boiling Point: 216.8 °C at 760 mmHg; (22)Vapour Pressure: 0.137 mmHg at 25°C.

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

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: S=C(N)NCCOC
(2)InChI: InChI=1/C4H10N2OS/c1-7-3-2-6-4(5)8/h2-3H2,1H3,(H3,5,6,8)
(3)InChIKey: XLJXJKHWLMYXBE-UHFFFAOYAA