2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide

C15H30O6S3 — CID 159098282

IUPAC2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC1CC(C)S(=O)(=O)C1.CC1CCS(=O)(=O)C1.O=S1(=O)CCCC1
InChIInChI=1S/C6H12O2S.C5H10O2S.C4H8O2S/c1-5-3-6(2)9(7,8)4-5;1-5-2-3-8(6,7)4-5;5-7(6)3-1-2-4-7/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;1-4H2
InChIKeyKCYISPGSWQGQEB-UHFFFAOYSA-N
MW402.60 g/mol
LogP1.47
Rot. Bonds

About 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide

2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide (PubChem CID 159098282) has the molecular formula C15H30O6S3 and a molecular weight of 402.60 g/mol. Its IUPAC name is 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide.

Molecular Properties

Compound Name2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
PubChem CID159098282
Molecular FormulaC15H30O6S3
Molecular Weight402.60 g/mol
Exact Mass402.12
IUPAC Name2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
SMILESCC1CC(C)S(=O)(=O)C1.CC1CCS(=O)(=O)C1.O=S1(=O)CCCC1
InChIInChI=1S/C6H12O2S.C5H10O2S.C4H8O2S/c1-5-3-6(2)9(7,8)4-5;1-5-2-3-8(6,7)4-5;5-7(6)3-1-2-4-7/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;1-4H2
InChIKeyKCYISPGSWQGQEB-UHFFFAOYSA-N
XLogP1.47
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide with MolForge

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Related Compounds

3-Methyl-1lambda~4~-thiolan-1-one--water (3/1)
CID 44149754
2,2-Di(propan-2-yl)-1,3-dithiolane 1,1,3,3-tetraoxide
CID 269573
3-[(2,5-Dimethylthiolan-3-yl)methylsulfonyl]-4-ethyl-2,5-dimethylthiolane
CID 57983838
2,2-Dimethylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 67095661
2-Methylthiolane 1,1-dioxide;thiolane 1,1-dioxide
CID 70631385
2-(2-Methylpropyl)-3-[2-(2-methylpropyl)-1,1-dioxothiolan-3-yl]sulfanylthiolane 1,1-dioxide
CID 90401454
2-Methyl-3-(2-methyl-1,1-dioxothiolan-3-yl)sulfonylthiolane 1,1-dioxide
CID 90401554
3,4-Dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide
CID 138473496
4-Ethyl-2-(4-ethyl-2-methylthiolan-2-yl)sulfonyl-2-methylthiolane
CID 140996920
2-(2,3-Dimethylthiolan-2-yl)sulfonyl-2,3-dimethylthiolane
CID 141005864
2-(2,4-Dimethylthiolan-2-yl)sulfonyl-2,4-dimethylthiolane
CID 141050068
2,4-Dimethylthiolane 1,1-dioxide;ethane
CID 145064639

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The IUPAC name of 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide (CID 159098282) is 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide.
What is the SMILES notation for 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The canonical SMILES for 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide is CC1CC(C)S(=O)(=O)C1.CC1CCS(=O)(=O)C1.O=S1(=O)CCCC1.
What is the InChIKey of 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
The InChIKey is KCYISPGSWQGQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C5H10O2S.C4H8O2S/c1-5-3-6(2)9(7,8)4-5;1-5-2-3-8(6,7)4-5;5-7(6)3-1-2-4-7/h5-6H,3-4H2,1-2H3;5H,2-4H2,1H3;1-4H2.
What are the key properties of 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide?
2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide has a molecular weight of 402.60 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylthiolane 1,1-dioxide;3-methylthiolane 1,1-dioxide;thiolane 1,1-dioxide is sourced from PubChem (CID 159098282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).