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3176-70-3

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Basic Information
CAS No.: 3176-70-3
Name: 1H-Benzimidazole-2-methanethiol,alpha-methyl-(9CI)
Article Data: 7
Molecular Structure:
Molecular Structure of 3176-70-3 (1H-Benzimidazole-2-methanethiol,alpha-methyl-(9CI))
Formula: C9H10N2S
Molecular Weight: 178.258
Synonyms: 1H-Benzimidazole-2-methanethiol,alpha-methyl-(9CI)
Density: 1.249 g/cm3
Boiling Point: 373.1 °C at 760mmHg
Flash Point: 179.4 °C
PSA: 67.48000
LogP: 2.55370
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Specification

The IUPAC name of this chemical is 1-(1H-Benzoimidazol-2-yl)ethanethiol. With CAS registry number of 3176-70-3, it is also called NSC367320. The product category of this product is Benzimidazole. In addition, the formula is C9H10N2S and the molecular weight is 178.2541.

Physical properties about 1-(1H-benzoimidazol-2-yl)ethanethiol are: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 43.12Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 54.06 cm3; (9)Molar Volume: 142.7 cm3; (10)Polarizability: 21.43×10-24cm3; (11)Surface Tension: 56.9 dyne/cm; (12)Density: 1.249 g/cm3; (13)Flash Point: 179.4 °C; (14)Enthalpy of Vaporization: 59.59 kJ/mol; (15)Boiling Point: 373.1 °C at 760 mmHg; (16)Vapour Pressure: 1.97E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:SC(c2nc1ccccc1n2)C
(2)InChI:InChI=1/C9H10N2S/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
(3)InChIKey:JDXDRQWXIBJNTC-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C9H10N2S/c1-6(12)9-10-7-4-2-3-5-8(7)11-9/h2-6,12H,1H3,(H,10,11)
(5)Std. InChIKey:JDXDRQWXIBJNTC-UHFFFAOYSA-N