(1H-Imidazol-4-yl)methanethiol supplier

Name
(1H-Imidazol-4-yl)methanethiol
EINECS
CAS No. 20979-13-9
Density 1.249 g/cm³
Solubility
Melting Point
Formula C₄H₆N₂S
Boiling Point 351.8 °C at 760 mmHg
Molecular Weight 114.1688
Flash Point 166.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Imidazol-5-ylmethanethiol;
PSA
LogP

(1H-Imidazol-4-yl)methanethiol 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

Product Name

(1H-Imidazol-4-yl)methanethiol

(1H-Imidazol-4-yl)methanethiol Specification

Related Products

Hot Products