3-tert-butyl-3-methylthietane

C8H16S — CID 58524143

IUPAC3-tert-butyl-3-methylthietane
SMILESCC(C)(C)C1(C)CSC1
InChIInChI=1S/C8H16S/c1-7(2,3)8(4)5-9-6-8/h5-6H2,1-4H3
InChIKeyPSHUJIVCAKCAPN-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.79
Rot. Bonds

About 3-tert-butyl-3-methylthietane

3-tert-butyl-3-methylthietane (PubChem CID 58524143) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 3-tert-butyl-3-methylthietane.

Molecular Properties

Compound Name3-tert-butyl-3-methylthietane
PubChem CID58524143
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name3-tert-butyl-3-methylthietane
SMILESCC(C)(C)C1(C)CSC1
InChIInChI=1S/C8H16S/c1-7(2,3)8(4)5-9-6-8/h5-6H2,1-4H3
InChIKeyPSHUJIVCAKCAPN-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-methylthietane?
The IUPAC name of 3-tert-butyl-3-methylthietane (CID 58524143) is 3-tert-butyl-3-methylthietane.
What is the SMILES notation for 3-tert-butyl-3-methylthietane?
The canonical SMILES for 3-tert-butyl-3-methylthietane is CC(C)(C)C1(C)CSC1.
What is the InChIKey of 3-tert-butyl-3-methylthietane?
The InChIKey is PSHUJIVCAKCAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-7(2,3)8(4)5-9-6-8/h5-6H2,1-4H3.
What are the key properties of 3-tert-butyl-3-methylthietane?
3-tert-butyl-3-methylthietane has a molecular weight of 144.28 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-methylthietane is sourced from PubChem (CID 58524143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).