5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane

C10H16OS2 — CID 91557080

IUPAC5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane
SMILESCC.Cc1sc(C)c2c1OCCS2
InChIInChI=1S/C8H10OS2.C2H6/c1-5-7-8(6(2)11-5)10-4-3-9-7;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyIOTCIBOSFWVHJR-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.88
Rot. Bonds

About 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane

5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane (PubChem CID 91557080) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane.

Molecular Properties

Compound Name5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane
PubChem CID91557080
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane
SMILESCC.Cc1sc(C)c2c1OCCS2
InChIInChI=1S/C8H10OS2.C2H6/c1-5-7-8(6(2)11-5)10-4-3-9-7;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyIOTCIBOSFWVHJR-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane?
The IUPAC name of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane (CID 91557080) is 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane.
What is the SMILES notation for 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane?
The canonical SMILES for 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane is CC.Cc1sc(C)c2c1OCCS2.
What is the InChIKey of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane?
The InChIKey is IOTCIBOSFWVHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS2.C2H6/c1-5-7-8(6(2)11-5)10-4-3-9-7;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane?
5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane has a molecular weight of 216.37 g/mol, XLogP of 3.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3-dihydrothieno[3,4-b][1,4]oxathiine;ethane is sourced from PubChem (CID 91557080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).