6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide

C7H12O2S2 — CID 130381727

IUPAC6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
SMILESCC1CS(=O)(=O)C2CCSC12
InChIInChI=1S/C7H12O2S2/c1-5-4-11(8,9)6-2-3-10-7(5)6/h5-7H,2-4H2,1H3
InChIKeyLBYRXLLMPMAGDE-UHFFFAOYSA-N
MW192.30 g/mol
LogP0.93
Rot. Bonds

About 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide

6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide (PubChem CID 130381727) has the molecular formula C7H12O2S2 and a molecular weight of 192.30 g/mol. Its IUPAC name is 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide.

Molecular Properties

Compound Name6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
PubChem CID130381727
Molecular FormulaC7H12O2S2
Molecular Weight192.30 g/mol
Exact Mass192.03
IUPAC Name6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
SMILESCC1CS(=O)(=O)C2CCSC12
InChIInChI=1S/C7H12O2S2/c1-5-4-11(8,9)6-2-3-10-7(5)6/h5-7H,2-4H2,1H3
InChIKeyLBYRXLLMPMAGDE-UHFFFAOYSA-N
XLogP0.93
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
CID 118613163
(2S)-2,3-dimethylthietane 1,1-dioxide
CID 130381680
(2R)-2,3-dimethylthiolane
CID 170182644
(3R,4R)-3,4-dimethylthiane 1,1-dioxide
CID 58714657
3-methylthiolane-2-thiol
CID 131969015
3,11-dithiatricyclo[6.3.0.02,6]undecan-7-one
CID 171055588
3-methyl-3,4,4a,5,6,7,8,9,10,11,12,13,14,14a-tetradecahydro-2H-cyclododeca[b][1,4]thiazine 1,1-dioxide
CID 66216967
2-methyl-1,3-dithietane 1,1,3,3-tetraoxide
CID 89335035
(2S,3R,4S)-3,4-dibromo-2-methylthiolane 1,1-dioxide
CID 99940270
4-methyl-1,3-dithiolane 1,1,3,3-tetraoxide
CID 54222403
2,5-dimethylthiazinane 1,1-dioxide;ethane
CID 142020415
1-[(1R,5R)-2-thiabicyclo[3.1.0]hexan-6-yl]ethanamine
CID 84648908

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
The IUPAC name of 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide (CID 130381727) is 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide.
What is the SMILES notation for 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
The canonical SMILES for 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide is CC1CS(=O)(=O)C2CCSC12.
What is the InChIKey of 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
The InChIKey is LBYRXLLMPMAGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S2/c1-5-4-11(8,9)6-2-3-10-7(5)6/h5-7H,2-4H2,1H3.
What are the key properties of 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide has a molecular weight of 192.30 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide is sourced from PubChem (CID 130381727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).