Thiourea,N,N'-dimethyl-N-phenyl- supplier

Name
1,3-dimethyl-1-phenylthiourea
EINECS
CAS No. 2740-95-6
Article Data6
CAS DataBase
Density 1.142 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂S
Boiling Point 252.7 °C at 760 mmHg
Molecular Weight 180.274
Flash Point 106.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N,N'-Dimethyl-N-phenylthiourea;
PSA
LogP

Thiourea,N,N'-dimethyl-N-phenyl- Specification

The Thiourea,N,N'-dimethyl-N-phenyl-, with the CAS registry number of 2740-95-6, is also known as N,N'-Dimethyl-N-phenylthiourea. Its molecular formula is C₉H₁₂N₂S and molecular weight is 180.269980. What's more, its IUPAC name is 1,3-Dimethyl-1-phenylthiourea.

Physical properties about the Thiourea,N,N'-dimethyl-N-phenyl- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.81; (6)ACD/BCF (pH 7.4): 7.81; (7)ACD/KOC (pH 5.5): 151.6; (8)ACD/KOC (pH 7.4): 151.61; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 56.08 cm³; (15)Molar Volume: 157.7 cm³; (16)Surface Tension: 52 dyne/cm; (17)Density: 1.142 g/cm³; (18)Flash Point: 106.6 °C; (19)Enthalpy of Vaporization: 49 kJ/mol; (20)Boiling Point: 252.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0191 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(N(c1ccccc1)C)NC
(2) InChI: InChI=1/C9H12N2S/c1-10-9(12)11(2)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,10,12)
(3) InChIKey: XOERABXRVAVTCE-UHFFFAOYAZ

Product Name

1,3-dimethyl-1-phenylthiourea

Thiourea,N,N'-dimethyl-N-phenyl- Specification

Related Products

Hot Products