2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane

C12H22O2S3 — CID 141050068

IUPAC2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane
SMILESCC1CSC(C)(S(=O)(=O)C2(C)CC(C)CS2)C1
InChIInChI=1S/C12H22O2S3/c1-9-5-11(3,15-7-9)17(13,14)12(4)6-10(2)8-16-12/h9-10H,5-8H2,1-4H3
InChIKeyOOJNPLVLGGNJSK-UHFFFAOYSA-N
MW294.51 g/mol
LogP3.38
Rot. Bonds2

About 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane

2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane (PubChem CID 141050068) has the molecular formula C12H22O2S3 and a molecular weight of 294.51 g/mol. Its IUPAC name is 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane.

Molecular Properties

Compound Name2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane
PubChem CID141050068
Molecular FormulaC12H22O2S3
Molecular Weight294.51 g/mol
Exact Mass294.08
IUPAC Name2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane
SMILESCC1CSC(C)(S(=O)(=O)C2(C)CC(C)CS2)C1
InChIInChI=1S/C12H22O2S3/c1-9-5-11(3,15-7-9)17(13,14)12(4)6-10(2)8-16-12/h9-10H,5-8H2,1-4H3
InChIKeyOOJNPLVLGGNJSK-UHFFFAOYSA-N
XLogP3.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Di(propan-2-yl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 269573
4-Ethyl-2,2-dimethylthiolane 1,1-dioxide
CID 20158703
3-Ethyl-2-propan-2-ylthiolane 1,1-dioxide
CID 53653278
4-Methyl-2-propan-2-ylthiolane 1,1-dioxide
CID 53714401
3-Ethyl-2,2-dimethylthiolane 1,1-dioxide
CID 53733311
2,2,4,5-Tetramethylthiolane 1,1-dioxide
CID 54264007
3-[(2,5-Dimethylthiolan-3-yl)methylsulfonyl]-4-ethyl-2,5-dimethylthiolane
CID 57983838
2,2,3,4-Tetramethylthiolane 1,1-dioxide
CID 66729951
3-(2-Methylpropyl)thiolane 1,1-dioxide
CID 67002360
2,2-Dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 67095661
2,3-Diethylthiolane 1,1-dioxide
CID 68664835
2-Tert-butyl-5-methylsulfonylthiolane
CID 89178624

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane?
The IUPAC name of 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane (CID 141050068) is 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane.
What is the SMILES notation for 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane?
The canonical SMILES for 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane is CC1CSC(C)(S(=O)(=O)C2(C)CC(C)CS2)C1.
What is the InChIKey of 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane?
The InChIKey is OOJNPLVLGGNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2S3/c1-9-5-11(3,15-7-9)17(13,14)12(4)6-10(2)8-16-12/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane?
2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane has a molecular weight of 294.51 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane is sourced from PubChem (CID 141050068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).