2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide

C7H12O4S — CID 282952

IUPAC2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide
SMILESCC1(OC2CS(=O)(=O)CC2O1)C
InChIInChI=1S/C7H12O4S/c1-7(2)10-5-3-12(8,9)4-6(5)11-7/h5-6H,3-4H2,1-2H3
InChIKeyAUVAYKUAZKEFGY-UHFFFAOYSA-N
MW192.24 g/mol
LogP-0.30
Rot. Bonds

About 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide

2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide (PubChem CID 282952) has the molecular formula C7H12O4S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide.

Molecular Properties

Compound Name2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide
PubChem CID282952
Molecular FormulaC7H12O4S
Molecular Weight192.24 g/mol
Exact Mass192.05
IUPAC Name2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide
SMILESCC1(OC2CS(=O)(=O)CC2O1)C
InChIInChI=1S/C7H12O4S/c1-7(2)10-5-3-12(8,9)4-6(5)11-7/h5-6H,3-4H2,1-2H3
InChIKeyAUVAYKUAZKEFGY-UHFFFAOYSA-N
XLogP-0.30
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity265

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tetrahydrothieno(3,4-d)(1,3)dioxol-2-one 5-oxide
CID 327189
FE9L82B5W9
CID 92435240
2-Ethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide
CID 293720
2,2-Dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5-oxide
CID 5254893
2,2-Dimethyl-4-(methylsulfonylmethyl)-1,3-dioxolane
CID 14522772
(3aS,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 15869435
1,3-Dioxolane;thiolane 1,1-dioxide
CID 67851911
4-Methyl-1,3-dioxolan-2-one;thiolane 1,1-dioxide
CID 70151452
2,2-Dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole
CID 85931448
4-(Methylsulfonylmethyl)-1,3-dioxolane
CID 89314053
4-(Ethylsulfonylmethyl)-1,3-dioxolane
CID 89314081
5,5-Dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-2-one
CID 89314151

Frequently Asked Questions

What is the IUPAC name of 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide?
The IUPAC name of 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide (CID 282952) is 2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide.
What is the SMILES notation for 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide?
The canonical SMILES for 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide is CC1(OC2CS(=O)(=O)CC2O1)C.
What is the InChIKey of 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide?
The InChIKey is AUVAYKUAZKEFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4S/c1-7(2)10-5-3-12(8,9)4-6(5)11-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide?
2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide has a molecular weight of 192.24 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxole 5,5-dioxide is sourced from PubChem (CID 282952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).