Benzamide,N-[(2-pyridinylamino)thioxomethyl]- supplier

Name
1-BENZOYL-3-(2-PYRIDYL)-2-THIOUREA
EINECS
CAS No. 4921-86-2
Article Data27
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point 144 °C
Formula C₁₃H₁₁N₃OS
Boiling Point
Molecular Weight 257.316
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Urea,1-benzoyl-3-(2-pyridyl)-2-thio- (7CI,8CI);1-Benzoyl-3-(2-pyridyl)-2-thiourea;1-Benzoyl-3-(pyridin-2-yl)thiocarbamide;N-Benzoyl-N'-(2-pyridyl)thiourea;N-[(2-Pyridinylamino)thioxomethyl]benzamide;N-a-Pyridyl-N'-benzoylthiourea;NSC 176367;
PSA 86.11000
LogP 2.67230

Benzamide,N-[(2-pyridinylamino)thioxomethyl]- Specification

The CAS register number of Benzamide,N-[(2-pyridinylamino)thioxomethyl]- is 4921-86-2. It also can be called as 1-Benzoyl-3-(2-pyridyl)-2-thiourea and the IUPAC name about this chemical is N-(pyridin-2-ylcarbamothioyl)benzamide. The molecular formula about this chemical is C₁₃H₁₁N₃OS and the molecular weight is 257.31.

Physical properties about Benzamide,N-[(2-pyridinylamino)thioxomethyl]- are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.46; (3)ACD/LogD (pH 7.4): 1.46; (4)ACD/BCF (pH 5.5): 7.57; (5)ACD/BCF (pH 7.4): 7.54; (6)ACD/KOC (pH 5.5): 147.83; (7)ACD/KOC (pH 7.4): 147.18; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 68.53 Å²; (12)Index of Refraction: 1.703; (13)Molar Refractivity: 74.43 cm³; (14)Molar Volume: 191.8 cm³; (15)Polarizability: 29.5x10^-24cm³; (16)Surface Tension: 70.2 dyne/cm; (17)Density: 1.341 g/cm³.

Preparation: this chemical can be prepared by pyridin-2-ylamine and benzoyl isothiocyanate. This reaction will need solvent of acetone. This reaction needs heating. The reaction time is 1 hour.

Uses of Benzamide,N-[(2-pyridinylamino)thioxomethyl]-: it can be used to produce pyridin-2-yl-thiourea. This reaction will need reagent of NaOH and solvent of H₂O. This reaction needs heating.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ncccc1)NC(=O)c2ccccc2
(2)InChI: InChI=1/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)
(3)InChIKey: PNBLAGJAUXZQTL-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C13H11N3OS/c17-12(10-6-2-1-3-7-10)16-13(18)15-11-8-4-5-9-14-11/h1-9H,(H2,14,15,16,17,18)
(5)Std. InChIKey: PNBLAGJAUXZQTL-UHFFFAOYSA-N

Product Name

1-BENZOYL-3-(2-PYRIDYL)-2-THIOUREA

Benzamide,N-[(2-pyridinylamino)thioxomethyl]- Specification

Related Products

Hot Products