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

C9H16O2S2 — CID 118613163

IUPAC6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
SMILESCC(C)C1CS(=O)(=O)C2CCSC12
InChIInChI=1S/C9H16O2S2/c1-6(2)7-5-13(10,11)8-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3
InChIKeyLCKXPXCSKWVQBI-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.56
Rot. Bonds1

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

6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide (PubChem CID 118613163) has the molecular formula C9H16O2S2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide.

Molecular Properties

Compound Name6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
PubChem CID118613163
Molecular FormulaC9H16O2S2
Molecular Weight220.36 g/mol
Exact Mass220.06
IUPAC Name6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
SMILESCC(C)C1CS(=O)(=O)C2CCSC12
InChIInChI=1S/C9H16O2S2/c1-6(2)7-5-13(10,11)8-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3
InChIKeyLCKXPXCSKWVQBI-UHFFFAOYSA-N
XLogP1.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide with MolForge

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Related Compounds

6-methyl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide
CID 130381727
(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
CID 59706739
(2S,3S)-3-methoxy-2-propan-2-ylthiolane;(2R,3R)-3-methoxy-2-propan-2-ylthiolane;(2S,3S)-3-methoxy-2-propan-2-ylthiolane 1,1-dioxide
CID 157216133
1-(1,3-dithiolan-2-yl)ethanethiol
CID 174424849
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
2-propan-2-ylthiolan-3-ol
CID 18410256
(2R)-2-methyl-3-propan-2-ylthietane
CID 118612980
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
2-(4-methylpent-3-enyl)-3-propan-2-ylthiolane
CID 129082825
2-propan-2-ylcyclohexane-1-thiol
CID 44558420
3,11-dithiatricyclo[6.3.0.02,6]undecan-7-one
CID 171055588
1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide
CID 58841397

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
The IUPAC name of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide (CID 118613163) is 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide.
What is the SMILES notation for 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
The canonical SMILES for 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide is CC(C)C1CS(=O)(=O)C2CCSC12.
What is the InChIKey of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
The InChIKey is LCKXPXCSKWVQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S2/c1-6(2)7-5-13(10,11)8-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide?
6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide has a molecular weight of 220.36 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]thiophene 4,4-dioxide is sourced from PubChem (CID 118613163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).