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Basic Information
CAS No.: 10583-84-3
Name: 1-PROPYL-1H-IMIDAZOLE-2-THIOL
Molecular Structure:
Molecular Structure of 10583-84-3 (1-PROPYL-1H-IMIDAZOLE-2-THIOL)
Formula: C6H10N2S
Molecular Weight: 142.225
Synonyms: Imidazole-2-thiol,1-propyl- (7CI,8CI);1-Propyl-2-imidazolethiol;
Density: 1.16g/cm3
Boiling Point: 196.8 °C at 760 mmHg
Flash Point: 72.8 °C
PSA: 56.62000
LogP: 1.58180
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Specification

The CAS register number of 2H-Imidazole-2-thione,1,3-dihydro-1-propyl- is 10583-84-3. It also can be called as 1-Propyl-2-imidazolethiol and the IUPAC name about this chemical is 3-propyl-1H-imidazole-2-thione. The molecular formula about this chemical is C6H10N2S and the molecular weight is 142.2188.

Physical properties about 2H-Imidazole-2-thione,1,3-dihydro-1-propyl- are: (1)ACD/LogP: 0.72; (2)ACD/LogD (pH 5.5): -1.69; (3)ACD/LogD (pH 7.4): -1.7; (4)ACD/BCF (pH 5.5): 1 ; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2  #H bond donors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 38.57 Å2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 42.33 cm3; (13)Molar Volume: 122.2 cm3; (14)Polarizability: 16.78x10-24cm3; (15)Surface Tension: 52.8 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 72.8 °C; (18)Enthalpy of Vaporization: 43.3 kJ/mol; (19)Boiling Point: 196.8 °C at 760 mmHg; (20)Vapour Pressure: 0.391 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C1N(\C=C/N1)CCC
(2)InChI: InChI=1/C6H10N2S/c1-2-4-8-5-3-7-6(8)9/h3,5H,2,4H2,1H3,(H,7,9)
(3)InChIKey: YNDGTXJRYKRKDJ-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C6H10N2S/c1-2-4-8-5-3-7-6(8)9/h3,5H,2,4H2,1H3,(H,7,9)
(5)Std. InChIKey: YNDGTXJRYKRKDJ-UHFFFAOYSA-N