2-(4-methylbenzene-1-sulfonyl)-1-phenylethyl thiocyanate
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-1-phenylethyl thiocyanate
2-(4-methylbenzene-1-sulfonyl)-1-phenylethyl thiocyanate
Compound characteristics
Compound ID: | 4264-0451 |
Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-1-phenylethyl thiocyanate |
Molecular Weight: | 317.43 |
Molecular Formula: | C16 H15 N O2 S2 |
Smiles: | Cc1ccc(cc1)S(CC(c1ccccc1)SC#N)(=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.5925 |
logD: | 3.5925 |
logSw: | -3.5911 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 46.8 |
InChI Key: | LYGIYIJZXPJYGQ-INIZCTEOSA-N |