Thiourea,N-(2,3,4,5,6-pentafluorophenyl)- supplier

Name
1-PENTAFLUOROPHENYL-2-THIOUREA
EINECS
CAS No. 715-60-6
Article Data2
CAS DataBase
Density 1.747 g/cm³
Solubility
Melting Point 156-158 °C
Formula C₇H₃F₅N₂S
Boiling Point 211.6 °C at 760 mmHg
Molecular Weight 242.17
Flash Point 81.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(Pentafluorophenyl)thiourea;
PSA 70.14000
LogP 2.81090

Thiourea,N-(2,3,4,5,6-pentafluorophenyl)- Specification

The Thiourea,N-(2,3,4,5,6-pentafluorophenyl)-, with the CAS registry number of 715-60-6, is also known as 1-(Pentafluorophenyl)thiourea. Its molecular formula is C₇H₃F₅N₂S and molecular weight is 242.17. What's more, its IUPAC name is (2,3,4,5,6-Pentafluorophenyl)thiourea.

Physical properties about the Thiourea,N-(2,3,4,5,6-pentafluorophenyl)- are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.67; (6)ACD/BCF (pH 7.4): 19.44; (7)ACD/KOC (pH 5.5): 293.6; (8)ACD/KOC (pH 7.4): 290.05; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.57 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 46.65 cm³; (15)Molar Volume: 138.6 cm³; (16)Surface Tension: 54.9 dyne/cm; (17)Density: 1.747 g/cm³; (18)Flash Point: 81.8 °C; (19)Enthalpy of Vaporization: 44.79 kJ/mol; (20)Boiling Point: 211.6 °C at 760 mmHg; (21)Vapour Pressure: 0.181 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: S=C(Nc1c(F)c(F)c(F)c(F)c1F)N
(2) InChI: InChI=1/C7H3F5N2S/c8-1-2(9)4(11)6(14-7(13)15)5(12)3(1)10/h(H3,13,14,15)
(3) InChIKey: YKRHDLIKBWNPJI-UHFFFAOYAJ

Product Name

1-PENTAFLUOROPHENYL-2-THIOUREA

Thiourea,N-(2,3,4,5,6-pentafluorophenyl)- Specification

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