S-(cholest-5-en-3-yl) 2-chloro-3-methylbutanethioate
Chemical Structure Depiction of
S-(cholest-5-en-3-yl) 2-chloro-3-methylbutanethioate
S-(cholest-5-en-3-yl) 2-chloro-3-methylbutanethioate
Compound characteristics
| Compound ID: | 0242-0999 |
| Compound Name: | S-(cholest-5-en-3-yl) 2-chloro-3-methylbutanethioate |
| Molecular Weight: | 521.29 |
| Molecular Formula: | C32 H53 Cl O S |
| Smiles: | CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)SC(C(C(C)C)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 10.1284 |
| logD: | 10.1284 |
| logSw: | -5.9936 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 13.8302 |
| InChI Key: | MYCARRQNTBVVPF-UHFFFAOYSA-N |