Home >> Chemicals Listing >> hot product list by 2  

2H-Imidazole-2-thione,1-amino-1,3-dihydro-4-methyl- (16163-48-7)

Identification
Name:2H-Imidazole-2-thione,1-amino-1,3-dihydro-4-methyl-
Synonyms:Imidazole-2-thiol,1-amino-4-methyl- (8CI);
CAS:16163-48-7
Molecular Formula: C4H7N3S
Molecular Weight: 129.18
InChI: InChI=1/C4H7N3S/c1-3-2-7(5)4(8)6-3/h2H,5H2,1H3,(H,6,8)
Molecular Structure: (C4H7N3S) Imidazole-2-thiol,1-amino-4-methyl- (8CI);
Properties
Density:1.46 g/cm3
Refractive index:1.711
Specification:

The systematic name about this chemical is 1-amino-4-methyl-imidazole-2-thiol. The CAS register number of 1-Amino-4-methyl-1H-imidazole-2-thiol is 16163-48-7. It also can be called as 1H-imidazole-2-thiol, 1-amino-4-methyl-. Its molecular formula is C4H7N3S and molecular weight is 129.186.

Physical properties about 1-Amino-4-methyl-1H-imidazole-2-thiol are: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 82.64Å2; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 34.49 cm3; (13)Molar Volume: 88.1 cm3; (14)Surface Tension: 51.6 dyne/cm; (15)Density: 1.46 g/cm3; (16)Flash Point: 140.6 °C; (17)Enthalpy of Vaporization: 54.96 kJ/mol; (18)Boiling Point: 308.9 °C at 760 mmHg; (19)Vapour Pressure: 0.00066 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Cc1cn(c(n1)S)N
2.InChI: InChI=1/C4H7N3S/c1-3-2-7(5)4(8)6-3/h2H,5H2,1H3,(H,6,8)
3.InChIKey: NHTMKLSGFDJHRG-UHFFFAOYAI
4.Std. InChI: InChI=1S/C4H7N3S/c1-3-2-7(5)4(8)6-3/h2H,5H2,1H3,(H,6,8)

Safety Data
 

Other Product