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20979-13-9

Basic Information
CAS No.: 20979-13-9
Name: (1H-Imidazol-4-yl)methanethiol
Molecular Structure:
Molecular Structure of 20979-13-9 ((1H-Imidazol-4-yl)methanethiol)
Formula: C4H6N2S
Molecular Weight: 114.1688
Synonyms: 1H-Imidazol-5-ylmethanethiol;
Density: 1.249 g/cm3
Boiling Point: 351.8 °C at 760 mmHg
Flash Point: 166.6 °C
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  • (1H-Imidazol-4-yl)methanethiol

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    20979-13-9

    (1H-Imidazol-4-yl)methanethiol

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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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  • (1H-Imidazol-4-yl)methanethiol

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    20979-13-9

    (1H-Imidazol-4-yl)methanethiol

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    20979-13-9

    (1H-Imidazol-4-yl)methanethiol

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    Our own factory produces direct sales with absolute price advantage Application:Pharmaceutical industry Transportation:By sea Port:Shanghai/tianjin

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  • (1H-IMIDAZOL-4-YL)METHANETHIOLCAS

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    20979-13-9

    (1H-IMIDAZOL-4-YL)METHANETHIOLCAS

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    (1H-IMIDAZOL-4-YL)METHANETHIOLCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The (1H-Imidazol-4-yl)methanethiol has CAS registry number 20979-13-9. The molecular formula of this chemical is C4H6N2S and its molecular weight is 114.1688. What's more, its systematic name is 1H-Imidazol-5-ylmethanethiol.

Physical properties about (1H-Imidazol-4-yl)methanethiol are: (1)ACD/LogP: 0.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.33; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.03; (6)ACD/KOC (pH 5.5): 9.28; (7)ACD/KOC (pH 7.4): 34.96; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 43.12 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 31.59 cm3; (14)Molar Volume: 91.3 cm3; (15)Polarizability: 12.52×10-24 cm3; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.249 g/cm3; (18)Flash Point: 166.6 °C; (19)Enthalpy of Vaporization: 57.3 kJ/mol; (20)Boiling Point: 351.8 °C at 760 mmHg; (21)Vapour Pressure: 8.14E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: SCc1cncn1
(2) InChI: InChI=1/C4H6N2S/c7-2-4-1-5-3-6-4/h1,3,7H,2H2,(H,5,6)
(3) InChIKey: CUJKQNHBJRVCET-UHFFFAOYAH