4-methoxy-3-methyl-2,3-dihydrothiophene

C6H10OS — CID 89103220

IUPAC4-methoxy-3-methyl-2,3-dihydrothiophene
SMILESCOC1=CSCC1C
InChIInChI=1S/C6H10OS/c1-5-3-8-4-6(5)7-2/h4-5H,3H2,1-2H3
InChIKeyAQTUPKSBINXCMU-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.86
Rot. Bonds1

About 4-methoxy-3-methyl-2,3-dihydrothiophene

4-methoxy-3-methyl-2,3-dihydrothiophene (PubChem CID 89103220) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-methoxy-3-methyl-2,3-dihydrothiophene
PubChem CID89103220
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name4-methoxy-3-methyl-2,3-dihydrothiophene
SMILESCOC1=CSCC1C
InChIInChI=1S/C6H10OS/c1-5-3-8-4-6(5)7-2/h4-5H,3H2,1-2H3
InChIKeyAQTUPKSBINXCMU-UHFFFAOYSA-N
XLogP1.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2,3-dihydrothiophene?
The IUPAC name of 4-methoxy-3-methyl-2,3-dihydrothiophene (CID 89103220) is 4-methoxy-3-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 4-methoxy-3-methyl-2,3-dihydrothiophene?
The canonical SMILES for 4-methoxy-3-methyl-2,3-dihydrothiophene is COC1=CSCC1C.
What is the InChIKey of 4-methoxy-3-methyl-2,3-dihydrothiophene?
The InChIKey is AQTUPKSBINXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-3-8-4-6(5)7-2/h4-5H,3H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-2,3-dihydrothiophene?
4-methoxy-3-methyl-2,3-dihydrothiophene has a molecular weight of 130.21 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 89103220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).