Thiourea,N-(1-methylethyl)-N'-phenyl- supplier

Name
1-ISO-PROPYL-3-PHENYL-2-THIOUREA
EINECS
CAS No. 15093-36-4
Article Data8
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point 98-100 °C
Formula C₁₀H₁₄N₂S
Boiling Point 275.8 °C at 760 mmHg
Molecular Weight 194.301
Flash Point 120.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Isopropyl-3-phenylthiourea;
PSA 56.15000
LogP 2.84530

Thiourea,N-(1-methylethyl)-N'-phenyl- Specification

The Thiourea,N-(1-methylethyl)-N'-phenyl-, with the CAS registry number of 15093-36-4, is also known as 1-Isopropyl-3-phenylthiourea. Its molecular formula is C₁₀H₁₄N₂S and molecular weight is 194.3. What's more, its IUPAC name is 1-Phenyl-3-propan-2-ylthiourea.

Physical properties about the Thiourea,N-(1-methylethyl)-N'-phenyl- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 12.98; (6)ACD/BCF (pH 7.4): 12.98; (7)ACD/KOC (pH 5.5): 218; (8)ACD/KOC (pH 7.4): 218; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 60.6 cm³; (15)Molar Volume: 172.5 cm³; (16)Surface Tension: 49.3 dyne/cm; (17)Density: 1.125 g/cm³; (18)Flash Point: 120.6 °C; (19)Enthalpy of Vaporization: 51.43 kJ/mol; (20)Boiling Point: 275.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00498 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-Isopropyl-4-phenyl-3-thioxo-[1,2,4]thiadiazolidin-5-one. This reaction needs reagent Triethylamine. Meanwhile, it needs solvent Tetrahydrofuran. The yield is about 52 %.

The Thiourea,N-(1-methylethyl)-N'-phenyl- can react with Carbonochloridic hypochlorous thioanhydride to get 2-Isopropyl-4-phenyl-3-thioxo-[1,2,4]thiadiazolidin-5-one

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1ccccc1)NC(C)C
(2) InChI: InChI=1/C10H14N2S/c1-8(2)11-10(13)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12,13)
(3) InChIKey: LFBMRUOVWMEFFZ-UHFFFAOYAJ

Product Name

1-ISO-PROPYL-3-PHENYL-2-THIOUREA

Thiourea,N-(1-methylethyl)-N'-phenyl- Specification

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