4-methoxy-2,3-dihydrothiophene

C5H8OS — CID 70281676

IUPAC4-methoxy-2,3-dihydrothiophene
SMILESCOC1=CSCC1
InChIInChI=1S/C5H8OS/c1-6-5-2-3-7-4-5/h4H,2-3H2,1H3
InChIKeyATBBCONEAPJJEF-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.61
Rot. Bonds1

About 4-methoxy-2,3-dihydrothiophene

4-methoxy-2,3-dihydrothiophene (PubChem CID 70281676) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydrothiophene.

Molecular Properties

Compound Name4-methoxy-2,3-dihydrothiophene
PubChem CID70281676
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name4-methoxy-2,3-dihydrothiophene
SMILESCOC1=CSCC1
InChIInChI=1S/C5H8OS/c1-6-5-2-3-7-4-5/h4H,2-3H2,1H3
InChIKeyATBBCONEAPJJEF-UHFFFAOYSA-N
XLogP1.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydrothiophene?
The IUPAC name of 4-methoxy-2,3-dihydrothiophene (CID 70281676) is 4-methoxy-2,3-dihydrothiophene.
What is the SMILES notation for 4-methoxy-2,3-dihydrothiophene?
The canonical SMILES for 4-methoxy-2,3-dihydrothiophene is COC1=CSCC1.
What is the InChIKey of 4-methoxy-2,3-dihydrothiophene?
The InChIKey is ATBBCONEAPJJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-6-5-2-3-7-4-5/h4H,2-3H2,1H3.
What are the key properties of 4-methoxy-2,3-dihydrothiophene?
4-methoxy-2,3-dihydrothiophene has a molecular weight of 116.18 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydrothiophene is sourced from PubChem (CID 70281676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).