(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine

C9H16O2S — CID 10921296

IUPAC(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine
SMILESCC1(C)OC[C@@H]2SCCC[C@@H]2O1
InChIInChI=1S/C9H16O2S/c1-9(2)10-6-8-7(11-9)4-3-5-12-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyJEAXPASZFLHLRX-YUMQZZPRSA-N
MW188.29 g/mol
LogP2.03
Rot. Bonds

About (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine

(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine (PubChem CID 10921296) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine.

Molecular Properties

Compound Name(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine
PubChem CID10921296
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine
SMILESCC1(C)OC[C@@H]2SCCC[C@@H]2O1
InChIInChI=1S/C9H16O2S/c1-9(2)10-6-8-7(11-9)4-3-5-12-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyJEAXPASZFLHLRX-YUMQZZPRSA-N
XLogP2.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine?
The IUPAC name of (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine (CID 10921296) is (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine.
What is the SMILES notation for (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine?
The canonical SMILES for (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine is CC1(C)OC[C@@H]2SCCC[C@@H]2O1.
What is the InChIKey of (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine?
The InChIKey is JEAXPASZFLHLRX-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H16O2S/c1-9(2)10-6-8-7(11-9)4-3-5-12-8/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine?
(4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine has a molecular weight of 188.29 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aS)-2,2-dimethyl-4,4a,6,7,8,8a-hexahydrothiopyrano[3,2-d][1,3]dioxine is sourced from PubChem (CID 10921296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).