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

C6H12S — CID 6428523

IUPAC(3R,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+
InChIKeyUCTWEFUUQKCEGE-OLQVQODUSA-N
MW116.23 g/mol
LogP2.01
Rot. Bonds

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

(3R,4S)-3,4-dimethylthiolane (PubChem CID 6428523) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (3R,4S)-3,4-dimethylthiolane.

Molecular Properties

Compound Name(3R,4S)-3,4-dimethylthiolane
PubChem CID6428523
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(3R,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+
InChIKeyUCTWEFUUQKCEGE-OLQVQODUSA-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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Related Compounds

CID 138337
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CID 575673
CID 575673
CID 58230848
CID 58230848
CID 21773708
CID 21773708
CID 568054
CID 568054
CID 71366060
CID 71366060
CID 529630
CID 529630
CID 643410
CID 643410
CID 6428531
CID 6428531
CID 6428516
CID 6428516
CID 13951586
CID 13951586
CID 21864332
CID 21864332

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3,4-dimethylthiolane?
The IUPAC name of (3R,4S)-3,4-dimethylthiolane (CID 6428523) is (3R,4S)-3,4-dimethylthiolane.
What is the SMILES notation for (3R,4S)-3,4-dimethylthiolane?
The canonical SMILES for (3R,4S)-3,4-dimethylthiolane is C[C@@H]1CSC[C@@H]1C.
What is the InChIKey of (3R,4S)-3,4-dimethylthiolane?
The InChIKey is UCTWEFUUQKCEGE-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12S/c1-5-3-7-4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (3R,4S)-3,4-dimethylthiolane?
(3R,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 (3R,4S)-3,4-dimethylthiolane is sourced from PubChem (CID 6428523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).