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Tert-octylglycidyl thioether

HCID 85528098
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)CC(C)(C)SCC1CO1
InChIKey
CZMCPPLWJBUXMT-UHFFFAOYSA-N
Molecular formula
C11H22OS
Average molar mass
202.36 g/mol

Names & identifiers

Preferred name
Tert-octylglycidyl thioether
IUPAC
2-(2,4,4-trimethylpentan-2-ylsulfanylmethyl)oxirane

Names & synonyms

tert-octylglycidyl thioetherSCHEMBL10506464CZMCPPLWJBUXMT-UHFFFAOYSA-N

Database identifiers

PubChem CID
85528098

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
37.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
13
Formal charge
0
Complexity
169

Related reactions

4 records
New reaction record
HRID 53097 reaction equation
HRID 53097As productuspto-grants-1997_04
HRID 443046 reaction equation
HRID 443046As productuspto-grants-1999_04
HRID 1122853 reaction equation
HRID 1122853As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2106905 reaction equation
HRID 2106905As productuspto-grants-1990_06

Compound notes

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