3,3-dimethylthiolane

C6H12S — CID 6428518

IUPAC3,3-dimethylthiolane
SMILESCC1(C)CCSC1
InChIInChI=1S/C6H12S/c1-6(2)3-4-7-5-6/h3-5H2,1-2H3
InChIKeyAUGREUBIBZBQHS-UHFFFAOYSA-N
MW116.23 g/mol
LogP2.15
Rot. Bonds

About 3,3-dimethylthiolane

3,3-dimethylthiolane (PubChem CID 6428518) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is 3,3-dimethylthiolane.

Molecular Properties

Compound Name3,3-dimethylthiolane
PubChem CID6428518
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name3,3-dimethylthiolane
SMILESCC1(C)CCSC1
InChIInChI=1S/C6H12S/c1-6(2)3-4-7-5-6/h3-5H2,1-2H3
InChIKeyAUGREUBIBZBQHS-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylthiolane?
The IUPAC name of 3,3-dimethylthiolane (CID 6428518) is 3,3-dimethylthiolane.
What is the SMILES notation for 3,3-dimethylthiolane?
The canonical SMILES for 3,3-dimethylthiolane is CC1(C)CCSC1.
What is the InChIKey of 3,3-dimethylthiolane?
The InChIKey is AUGREUBIBZBQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12S/c1-6(2)3-4-7-5-6/h3-5H2,1-2H3.
What are the key properties of 3,3-dimethylthiolane?
3,3-dimethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylthiolane is sourced from PubChem (CID 6428518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).