2-[(4-Choloro-3-methyl-2-pyridinylmethyl)thio]-1H-benzimidazole supplier

Name
2-[(4-Chloro-3-Methyl-2-Pyridinyl-methyl)thio]-1H-Benzimidazole
EINECS
CAS No. 103312-62-5
Article Data2
CAS DataBase
Density 1.4 g/cm³
Solubility
Melting Point 155-160 °C(Solv: ethanol (64-17-5))
Formula C₁₄H₁₂ClN₃S
Boiling Point 495.38 °C at 760 mmHg
Molecular Weight 289.788
Flash Point 253.397 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[(4-Chloro-3-Methyl-2-pyridinyl)methylthio]-1H-benzimidazole;2-[[(4-Chloro-3-methyl-2-pyridyl)methyl]thio]-1H-benzimidazole;
PSA 66.87000
LogP 4.21200

2-[(4-Choloro-3-methyl-2-pyridinylmethyl)thio]-1H-benzimidazole Specification

The 2-[(4-Choloro-3-methyl-2-pyridinylmethyl)thio]-1H-benzimidazole with its cas register number is 103312-62-5. It also can be called as and the Systematic name about this chemical is 2-{[(4-chloro-3-methylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole. It belongs to the API intermediates.

Physical properties about 2-[(4-Choloro-3-methyl-2-pyridinylmethyl)thio]-1H-benzimidazole are: (1)ACD/LogP: 3.25; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 278; (5)ACD/BCF (pH 7.4): 359; (6)ACD/KOC (pH 5.5): 1816; (7)ACD/KOC (pH 7.4): 2346; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 66.87Å²; (12)Index of Refraction: 1.707; (13)Molar Refractivity: 80.635 cm³; (14)Molar Volume: 206.941 cm³; (15)Polarizability: 31.966x10^-24cm³; (16)Surface Tension: 71.939 dyne/cm; (17)Enthalpy of Vaporization: 76.292 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(ncc1)CSc3nc2ccccc2n3)C
(2)InChI: InChI=1/C14H12ClN3S/c1-9-10(15)6-7-16-13(9)8-19-14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18) ; (3)InChIKey: NKBICFMRRCFCFT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H12ClN3S/c1-9-10(15)6-7-16-13(9)8-19-14-17-11-4-2-3-5-12(11)18-14/h2-7H,8H2,1H3,(H,17,18)
(5)Std. InChIKey: NKBICFMRRCFCFT-UHFFFAOYSA-N

Product Name

2-[(4-Chloro-3-Methyl-2-Pyridinyl-methyl)thio]-1H-Benzimidazole

2-[(4-Choloro-3-methyl-2-pyridinylmethyl)thio]-1H-benzimidazole Specification

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