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

C9H16O3S — CID 118613128

IUPAC6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide
SMILESCC(C)C1CS(=O)(=O)C2CCOC12
InChIInChI=1S/C9H16O3S/c1-6(2)7-5-13(10,11)8-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3
InChIKeyVBATUEPRKSXXBK-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.84
Rot. Bonds1

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

6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide (PubChem CID 118613128) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide.

Molecular Properties

Compound Name6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide
PubChem CID118613128
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide
SMILESCC(C)C1CS(=O)(=O)C2CCOC12
InChIInChI=1S/C9H16O3S/c1-6(2)7-5-13(10,11)8-3-4-12-9(7)8/h6-9H,3-5H2,1-2H3
InChIKeyVBATUEPRKSXXBK-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide?
The IUPAC name of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide (CID 118613128) is 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide.
What is the SMILES notation for 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide?
The canonical SMILES for 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide is CC(C)C1CS(=O)(=O)C2CCOC12.
What is the InChIKey of 6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide?
The InChIKey is VBATUEPRKSXXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/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]furan 4,4-dioxide?
6-propan-2-yl-2,3,3a,5,6,6a-hexahydrothieno[3,2-b]furan 4,4-dioxide has a molecular weight of 204.29 g/mol, XLogP of 0.84, 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]furan 4,4-dioxide is sourced from PubChem (CID 118613128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).