4-[5-(2-methylpropyl)-2-oxidanyl-4-propan-2-yl-1,3,2-dioxaborolan-4-yl]butane-2-thiol

Systemtic Name: 4-[5-(2-methylpropyl)-2-oxidanyl-4-propan-2-yl-1,3,2-dioxaborolan-4-yl]butane-2-thiol Openeye Name: 4-(2-hydroxy-5-isobutyl-4-isopropyl-1,3,2-dioxaborolan-4-yl)butane-2-thiol CAS Name: 4-[2-hydroxy-5-(2-methylpropyl)-4-propan-2-yl-1,3,2-dioxaborolan-4-yl]-2-butanethiol IUPAC Name: 4-[2-hydroxy-5-(2-methylpropyl)-4-propan-2-yl-1,3,2-dioxaborolan-4-yl]butane-2-thiol Traditional Name: 4-(2-hydroxy-5-isobutyl-4-isopropyl-1,3,2-dioxaborolan-4-yl)butane-2-thiol Formula: C13H27BO3S MolecularWeight: 274.22768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(CCC(C)S)C(C)C)CC(C)C)O

Isomeric SMILES

B1(OC(C(O1)(CCC(C)S)C(C)C)CC(C)C)O

InChI

InChI=1S/C13H27BO3S/c1-9(2)8-12-13(10(3)4,7-6-11(5)18)17-14(15)16-12/h9-12,15,18H,6-8H2,1-5H3