(3S,4S)-3,4-dimethylthiolane

C6H12S — CID 6428531

IUPAC(3S,4S)-3,4-dimethylthiolane
SMILESC[C@@H]1CSC[C@H]1C
InChIInChI=1S/C6H12S/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyUCTWEFUUQKCEGE-PHDIDXHHSA-N
MW116.23 g/mol
LogP2.01
Rot. Bonds

About (3S,4S)-3,4-dimethylthiolane

(3S,4S)-3,4-dimethylthiolane (PubChem CID 6428531) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (3S,4S)-3,4-dimethylthiolane.

Molecular Properties

Compound Name(3S,4S)-3,4-dimethylthiolane
PubChem CID6428531
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(3S,4S)-3,4-dimethylthiolane
SMILESC[C@@H]1CSC[C@H]1C
InChIInChI=1S/C6H12S/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyUCTWEFUUQKCEGE-PHDIDXHHSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-dimethylthiolane?
The IUPAC name of (3S,4S)-3,4-dimethylthiolane (CID 6428531) is (3S,4S)-3,4-dimethylthiolane.
What is the SMILES notation for (3S,4S)-3,4-dimethylthiolane?
The canonical SMILES for (3S,4S)-3,4-dimethylthiolane is C[C@@H]1CSC[C@H]1C.
What is the InChIKey of (3S,4S)-3,4-dimethylthiolane?
The InChIKey is UCTWEFUUQKCEGE-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H12S/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of (3S,4S)-3,4-dimethylthiolane?
(3S,4S)-3,4-dimethylthiolane has a molecular weight of 116.23 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-dimethylthiolane is sourced from PubChem (CID 6428531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).