3,6-dimethyl-2,3-dihydro-1,4-oxathiine

C6H10OS — CID 58183536

IUPAC3,6-dimethyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=CSC(C)CO1
InChIInChI=1S/C6H10OS/c1-5-4-8-6(2)3-7-5/h4,6H,3H2,1-2H3
InChIKeyZBRVQAPXGXJYSS-UHFFFAOYSA-N
MW130.21 g/mol
LogP2.00
Rot. Bonds

About 3,6-dimethyl-2,3-dihydro-1,4-oxathiine

3,6-dimethyl-2,3-dihydro-1,4-oxathiine (PubChem CID 58183536) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3,6-dimethyl-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name3,6-dimethyl-2,3-dihydro-1,4-oxathiine
PubChem CID58183536
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3,6-dimethyl-2,3-dihydro-1,4-oxathiine
SMILESCC1=CSC(C)CO1
InChIInChI=1S/C6H10OS/c1-5-4-8-6(2)3-7-5/h4,6H,3H2,1-2H3
InChIKeyZBRVQAPXGXJYSS-UHFFFAOYSA-N
XLogP2.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 3,6-dimethyl-2,3-dihydro-1,4-oxathiine (CID 58183536) is 3,6-dimethyl-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 3,6-dimethyl-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 3,6-dimethyl-2,3-dihydro-1,4-oxathiine is CC1=CSC(C)CO1.
What is the InChIKey of 3,6-dimethyl-2,3-dihydro-1,4-oxathiine?
The InChIKey is ZBRVQAPXGXJYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-4-8-6(2)3-7-5/h4,6H,3H2,1-2H3.
What are the key properties of 3,6-dimethyl-2,3-dihydro-1,4-oxathiine?
3,6-dimethyl-2,3-dihydro-1,4-oxathiine has a molecular weight of 130.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 58183536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).