2,3,4,4-tetramethylthiolane

C8H16S — CID 66729842

IUPAC2,3,4,4-tetramethylthiolane
SMILESCC1SCC(C)(C)C1C
InChIInChI=1S/C8H16S/c1-6-7(2)9-5-8(6,3)4/h6-7H,5H2,1-4H3
InChIKeyLSBDOZOEJRPAEP-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.78
Rot. Bonds

About 2,3,4,4-tetramethylthiolane

2,3,4,4-tetramethylthiolane (PubChem CID 66729842) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2,3,4,4-tetramethylthiolane.

Molecular Properties

Compound Name2,3,4,4-tetramethylthiolane
PubChem CID66729842
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2,3,4,4-tetramethylthiolane
SMILESCC1SCC(C)(C)C1C
InChIInChI=1S/C8H16S/c1-6-7(2)9-5-8(6,3)4/h6-7H,5H2,1-4H3
InChIKeyLSBDOZOEJRPAEP-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3,4-trimethylthiolane
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(4R,5R)-4,5-dimethyl-1,3-dithiolane
CID 135251680
1,2,3-trimethyl-1-prop-1-enylcyclopropane
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(2R,3S)-2,3-dimethylthietane
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(2R)-2,3-dimethylthietane
CID 130381786
CID 162401464
CID 162401464
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
ethane;3,3,4-trimethylthiane
CID 144627072
3-hydroxy-2,4,4-trimethyl-1,3-thiazolidine
CID 123405478

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4-tetramethylthiolane?
The IUPAC name of 2,3,4,4-tetramethylthiolane (CID 66729842) is 2,3,4,4-tetramethylthiolane.
What is the SMILES notation for 2,3,4,4-tetramethylthiolane?
The canonical SMILES for 2,3,4,4-tetramethylthiolane is CC1SCC(C)(C)C1C.
What is the InChIKey of 2,3,4,4-tetramethylthiolane?
The InChIKey is LSBDOZOEJRPAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-6-7(2)9-5-8(6,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 2,3,4,4-tetramethylthiolane?
2,3,4,4-tetramethylthiolane has a molecular weight of 144.28 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4-tetramethylthiolane is sourced from PubChem (CID 66729842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).