Input interpretation
4-methyl-5-thiazoleethanol
Chemical names and formulas
formula | C_6H_9NOS name | 4-methyl-5-thiazoleethanol IUPAC name | 2-(4-methyl-5-thiazolyl)ethanol alternate names | 2-(4-methyl-1, 3-thiazol-5-yl)ethanol | 2-(4-methylthiazol-5-yl)ethanol | 5-(2-hydroxyethyl)-4-methylthiazole | sulfurol | thiamine thiazole mass fractions | C (carbon) 50.3% | H (hydrogen) 6.34% | N (nitrogen) 9.78% | O (oxygen) 11.2% | S (sulfur) 22.4%
Lewis structure
Draw the Lewis structure of 4-methyl-5-thiazoleethanol. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), nitrogen (n_N, val = 5), oxygen (n_O, val = 6), and sulfur (n_S, val = 6) atoms: 6 n_C, val + 9 n_H, val + n_N, val + n_O, val + n_S, val = 50 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), nitrogen (n_N, full = 8), oxygen (n_O, full = 8), and sulfur (n_S, full = 8): 6 n_C, full + 9 n_H, full + n_N, full + n_O, full + n_S, full = 90 Subtracting these two numbers shows that 90 - 50 = 40 bonding electrons are needed. Each bond has two electrons, so in addition to the 18 bonds already present in the diagram add 2 bonds. To minimize formal charge nitrogen wants 3 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 2 bonds by pairing electrons between adjacent highlighted atoms: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 143.2 g/mol phase | liquid (at STP) boiling point | 135 °C (measured at 933.1 Pa) density | 1.196 g/cm^3 solubility in water | soluble
Units
Hydrophobicity and permeability properties
predicted LogP hydrophobicity | 0.67 predicted LogS | -1.8
Basic drug properties
approval status | experimental | small molecule
Liquid properties (at STP)
density | 1.196 g/cm^3 refractive index | 1.55
Units
Chemical identifiers
CAS number | 137-00-8 Beilstein number | 114249 PubChem CID number | 1136 PubChem SID number | 24851454 SMILES identifier | CC1=C(SC=N1)CCO InChI identifier | InChI=1/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4, 8H, 2-3H2, 1H3 InChI key | BKAWJIRCKVUVED-UHFFFAOYAZ MDL number | MFCD00005339
Safety properties
flash point | 110 °C