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51604-43-4

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Basic Information
CAS No.: 51604-43-4
Name: METHYLMETHOXYTHIOUREA
Molecular Structure:
Molecular Structure of 51604-43-4 (METHYLMETHOXYTHIOUREA)
Formula: C3H8N2OS
Molecular Weight: 120.17
Synonyms: Thiourea, (methoxymethyl)-;
Density: 1.179 g/cm3
Boiling Point: 192.6 °C at 760 mmHg
Flash Point: 70.3 °C
PSA: 79.37000
LogP: 0.51470
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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

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    factory?direct?sale Application:Fine chemical intermediates, used as the main raw material for the synthesis of various pesticides, medicines, surfactants, polymer monomers, and antifungal agents

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Specification

This chemical is called Methoxymethylthiourea, and its systematic name is 1-(Methoxymethyl)thiourea. With the molecular formula of C3H8N2OS, its molecular weight is 120.17. The CAS registry number of the chemical is 51604-43-4. 

Other characteristics of Methoxymethylthiourea can be summarised as followings: (1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.02; (8)ACD/KOC (pH 7.4): 8.02; (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: 1.542; (14)Molar Refractivity: 32.11 cm3; (15)Molar Volume: 101.8 cm3; (16)Polarizability: 12.73×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.179 g/cm3; (19)Flash Point: 70.3 °C; (20)Enthalpy of Vaporization: 42.88 kJ/mol; (21)Boiling Point: 192.6 °C at 760 mmHg; (22)Vapour Pressure: 0.484 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: S=C(N)NCOC
2.InChI: InChI=1/C3H8N2OS/c1-6-2-5-3(4)7/h2H2,1H3,(H3,4,5,7)
3.InChIKey: VHHBCZRHMHRNTP-UHFFFAOYAX
4.Std. InChI: InChI=1S/C3H8N2OS/c1-6-2-5-3(4)7/h2H2,1H3,(H3,4,5,7)
5.Std. InChIKey: VHHBCZRHMHRNTP-UHFFFAOYSA-N