tert-butyl 2-tert-butylsulfanylacetate

C10H20O2S — CID 11148405

IUPACtert-butyl 2-tert-butylsulfanylacetate
SMILESCC(C)(C)OC(=O)CSC(C)(C)C
InChIInChI=1S/C10H20O2S/c1-9(2,3)12-8(11)7-13-10(4,5)6/h7H2,1-6H3
InChIKeyOXCCDTYPXOSEEB-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.86
Rot. Bonds2

About tert-butyl 2-tert-butylsulfanylacetate

tert-butyl 2-tert-butylsulfanylacetate (PubChem CID 11148405) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is tert-butyl 2-tert-butylsulfanylacetate.

Molecular Properties

Compound Nametert-butyl 2-tert-butylsulfanylacetate
PubChem CID11148405
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Nametert-butyl 2-tert-butylsulfanylacetate
SMILESCC(C)(C)OC(=O)CSC(C)(C)C
InChIInChI=1S/C10H20O2S/c1-9(2,3)12-8(11)7-13-10(4,5)6/h7H2,1-6H3
InChIKeyOXCCDTYPXOSEEB-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-tert-butylsulfanylacetate?
The IUPAC name of tert-butyl 2-tert-butylsulfanylacetate (CID 11148405) is tert-butyl 2-tert-butylsulfanylacetate.
What is the SMILES notation for tert-butyl 2-tert-butylsulfanylacetate?
The canonical SMILES for tert-butyl 2-tert-butylsulfanylacetate is CC(C)(C)OC(=O)CSC(C)(C)C.
What is the InChIKey of tert-butyl 2-tert-butylsulfanylacetate?
The InChIKey is OXCCDTYPXOSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-9(2,3)12-8(11)7-13-10(4,5)6/h7H2,1-6H3.
What are the key properties of tert-butyl 2-tert-butylsulfanylacetate?
tert-butyl 2-tert-butylsulfanylacetate has a molecular weight of 204.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-tert-butylsulfanylacetate is sourced from PubChem (CID 11148405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).