5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine

C10H18OS2 — CID 20549613

IUPAC5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine
SMILESCC1=C(C)SC(COC(C)C)CS1
InChIInChI=1S/C10H18OS2/c1-7(2)11-5-10-6-12-8(3)9(4)13-10/h7,10H,5-6H2,1-4H3
InChIKeyDSGNAWSQEKWZEG-UHFFFAOYSA-N
MW218.39 g/mol
LogP3.51
Rot. Bonds3

About 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine

5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine (PubChem CID 20549613) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine.

Molecular Properties

Compound Name5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine
PubChem CID20549613
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine
SMILESCC1=C(C)SC(COC(C)C)CS1
InChIInChI=1S/C10H18OS2/c1-7(2)11-5-10-6-12-8(3)9(4)13-10/h7,10H,5-6H2,1-4H3
InChIKeyDSGNAWSQEKWZEG-UHFFFAOYSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine?
The IUPAC name of 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine (CID 20549613) is 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine.
What is the SMILES notation for 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine?
The canonical SMILES for 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine is CC1=C(C)SC(COC(C)C)CS1.
What is the InChIKey of 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine?
The InChIKey is DSGNAWSQEKWZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c1-7(2)11-5-10-6-12-8(3)9(4)13-10/h7,10H,5-6H2,1-4H3.
What are the key properties of 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine?
5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine has a molecular weight of 218.39 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(propan-2-yloxymethyl)-2,3-dihydro-1,4-dithiine is sourced from PubChem (CID 20549613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).