3,3,4-trimethylthiolane

C7H14S — CID 66729923

IUPAC3,3,4-trimethylthiolane
SMILESCC1CSCC1(C)C
InChIInChI=1S/C7H14S/c1-6-4-8-5-7(6,2)3/h6H,4-5H2,1-3H3
InChIKeyZAPXYTQNKRKBKT-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.40
Rot. Bonds

About 3,3,4-trimethylthiolane

3,3,4-trimethylthiolane (PubChem CID 66729923) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 3,3,4-trimethylthiolane.

Molecular Properties

Compound Name3,3,4-trimethylthiolane
PubChem CID66729923
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name3,3,4-trimethylthiolane
SMILESCC1CSCC1(C)C
InChIInChI=1S/C7H14S/c1-6-4-8-5-7(6,2)3/h6H,4-5H2,1-3H3
InChIKeyZAPXYTQNKRKBKT-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylthiolane
CID 138337
3,3-Dimethyl-thiacyclopentane
CID 6428518
Cis-3,4-dimethyl-thiacyclopentane
CID 6428523
3,3,4,4-Tetramethylthiolane-2-thione
CID 44302530
trans-3,4-Dimethyl-thiacyclopentane
CID 6428531
3,4-Dimethylthiolane
CID 23069326
(3R,4R)-3,4-dimethylthiolane
CID 20837753
1-Iodo-1,3,3-trimethylthiolane
CID 134994112
1,3,3-Trimethylthiolan-1-ium iodide
CID 176443602
1,3,3-Trimethylthiolan-1-ium
CID 21679011
3-Methyl-1-methylidenethiolane
CID 12867292
3,3,4,4-Tetramethylthiolane
CID 14087280

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethylthiolane?
The IUPAC name of 3,3,4-trimethylthiolane (CID 66729923) is 3,3,4-trimethylthiolane.
What is the SMILES notation for 3,3,4-trimethylthiolane?
The canonical SMILES for 3,3,4-trimethylthiolane is CC1CSCC1(C)C.
What is the InChIKey of 3,3,4-trimethylthiolane?
The InChIKey is ZAPXYTQNKRKBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-6-4-8-5-7(6,2)3/h6H,4-5H2,1-3H3.
What are the key properties of 3,3,4-trimethylthiolane?
3,3,4-trimethylthiolane has a molecular weight of 130.26 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4-trimethylthiolane is sourced from PubChem (CID 66729923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).