SMILES:SCl

SMILES: SCl

molar mass | 68.53 g/mol formula | ClHS empirical formula | S_Cl_H_ SMILES identifier | ClS InChI identifier | InChI=1/ClHS/c1-2/h2H InChI key | XDLNRRRJZOJTRW-UHFFFAOYSA-N

Draw the Lewis structure of SMILES:SCl. Start by drawing the overall structure of the molecule: Count the total valence electrons of the chlorine (n_Cl, val = 7), hydrogen (n_H, val = 1), and sulfur (n_S, val = 6) atoms: n_Cl, val + n_H, val + n_S, val = 14 Calculate the number of electrons needed to completely fill the valence shells for chlorine (n_Cl, full = 8), hydrogen (n_H, full = 2), and sulfur (n_S, full = 8): n_Cl, full + n_H, full + n_S, full = 18 Subtracting these two numbers shows that 18 - 14 = 4 bonding electrons are needed. Each bond has two electrons, so the above diagram has all the necessary bonds. There are 2 bonds and hence 4 bonding electrons in the diagram. Lastly, fill in the remaining unbonded electrons on each atom. In total, there remain 14 - 4 = 10 electrons left to draw: Answer: | |

melting point | -117 °C boiling point | 26.54 °C critical temperature | 502 K critical pressure | 7.05 MPa critical volume | 138.5 cm^3/mol molar heat of vaporization | 26.7 kJ/mol molar heat of fusion | 3.994 kJ/mol molar enthalpy | -20.6 kJ/mol molar free energy | -33.42 kJ/mol (computed using the Joback method)

longest chain length | 2 atoms longest straight chain length | 2 atoms longest aliphatic chain length | 0 atoms aromatic atom count | 0 atoms H-bond acceptor count | 0 atoms H-bond donor count | 0 atoms

Find the elemental composition for SMILES:SCl in terms of the atom and mass percents: atom percent = N_i/N_total × 100% mass percent = (N_im_i)/m × 100% Plan: • Write the chemical formula and gather atomic masses from the periodic table. • Determine values for N_i, m_i, N_total and m using these items. • Finally, compute the percents and check the results. Write the chemical formula: ClHS Use the chemical formula to count the number of atoms, N_i, for each element and find the total number of atoms, N_total: | number of atoms S (sulfur) | 1 Cl (chlorine) | 1 H (hydrogen) | 1 N_total = 1 + 1 + 1 = 3 Divide each N_i by N_total to calculate atom fractions. Then use the property that atom fractions must sum to one to check the work: | number of atoms | atom fraction S (sulfur) | 1 | 1/3 Cl (chlorine) | 1 | 1/3 H (hydrogen) | 1 | 1/3 Check: 1/3 + 1/3 + 1/3 = 1 Compute atom percents using the atom fractions: | number of atoms | atom percent S (sulfur) | 1 | 1/3 × 100% = 33.3% Cl (chlorine) | 1 | 1/3 × 100% = 33.3% H (hydrogen) | 1 | 1/3 × 100% = 33.3% Look up the atomic mass, m_i, in unified atomic mass units, u, for each element in the periodic table: | number of atoms | atom percent | atomic mass/u S (sulfur) | 1 | 33.3% | 32.06 Cl (chlorine) | 1 | 33.3% | 35.45 H (hydrogen) | 1 | 33.3% | 1.008 Multiply N_i by m_i to compute the mass for each element. Then sum those values to compute the molecular mass, m: | number of atoms | atom percent | atomic mass/u | mass/u S (sulfur) | 1 | 33.3% | 32.06 | 1 × 32.06 = 32.06 Cl (chlorine) | 1 | 33.3% | 35.45 | 1 × 35.45 = 35.45 H (hydrogen) | 1 | 33.3% | 1.008 | 1 × 1.008 = 1.008 m = 32.06 u + 35.45 u + 1.008 u = 68.518 u Divide the mass for each element by m to calculate mass fractions. Then use the property that mass fractions must sum to one to check the work: | number of atoms | atom percent | mass fraction S (sulfur) | 1 | 33.3% | 32.06/68.518 Cl (chlorine) | 1 | 33.3% | 35.45/68.518 H (hydrogen) | 1 | 33.3% | 1.008/68.518 Check: 32.06/68.518 + 35.45/68.518 + 1.008/68.518 = 1 Compute mass percents using the mass fractions: Answer: | | | number of atoms | atom percent | mass percent S (sulfur) | 1 | 33.3% | 32.06/68.518 × 100% = 46.79% Cl (chlorine) | 1 | 33.3% | 35.45/68.518 × 100% = 51.74% H (hydrogen) | 1 | 33.3% | 1.008/68.518 × 100% = 1.471%

The first step in finding the oxidation states (or oxidation numbers) in SMILES: SCl is to draw the structure diagram. Next set every oxidation number equal to the atom's formal charge: In SMILES: SCl hydrogen is not bonded to a metal with lower electronegativity, so it will have an oxidation state of +1. Any element bonded to hydrogen gains the bonding electrons, decreasing their oxidation state by 1 for every bond: With hydrogen out of the way, look at the remaining bonds. There is 1 chlorine-sulfur bond. For this bond, assign the bonding electrons to the most electronegative element. First examine the chlorine-sulfur bond: element | electronegativity (Pauling scale) | Cl | 3.16 | S | 2.58 | | | Since chlorine is more electronegative than sulfur, the electrons in this bond will go to chlorine. Decrease the oxidation number for chlorine (by 1 for single bonds, 2 for double bonds, and 3 for triple bonds), and increase the oxidation number for sulfur accordingly: Now summarize the results: Answer: | | oxidation state | element | count -1 | Cl (chlorine) | 1 0 | S (sulfur) | 1 +1 | H (hydrogen) | 1

First draw the structure diagram for SMILES:SCl, and for every non-hydrogen atom, count the σ-bonds. Note that double and triple bonds consist of one σ-bond together with one or two π-bonds: Identify those atoms with lone pairs: Find the steric number by adding the lone pair count to the number of σ-bonds: Consult the following chart to determine the hybridization from the steric number: steric number | hybridization 2 | sp 3 | sp^2 4 | sp^3 5 | dsp^3 6 | d^2sp^3 7 | d^3sp^3 Now assign the hybridization for each atom: Answer: | |

vertex count | 3 edge count | 2 Schultz index | 16 Wiener index | 4 Hosoya index | 3 Balaban index | 1.633