3-methoxy-2-methyl-2,5-dihydrothiophene

C6H10OS — CID 130205381

IUPAC3-methoxy-2-methyl-2,5-dihydrothiophene
SMILESCOC1=CCSC1C
InChIInChI=1S/C6H10OS/c1-5-6(7-2)3-4-8-5/h3,5H,4H2,1-2H3
InChIKeyDZAGQHJPNXHKDF-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.65
Rot. Bonds1

About 3-methoxy-2-methyl-2,5-dihydrothiophene

3-methoxy-2-methyl-2,5-dihydrothiophene (PubChem CID 130205381) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 3-methoxy-2-methyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name3-methoxy-2-methyl-2,5-dihydrothiophene
PubChem CID130205381
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name3-methoxy-2-methyl-2,5-dihydrothiophene
SMILESCOC1=CCSC1C
InChIInChI=1S/C6H10OS/c1-5-6(7-2)3-4-8-5/h3,5H,4H2,1-2H3
InChIKeyDZAGQHJPNXHKDF-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-2,5-dihydrothiophene?
The IUPAC name of 3-methoxy-2-methyl-2,5-dihydrothiophene (CID 130205381) is 3-methoxy-2-methyl-2,5-dihydrothiophene.
What is the SMILES notation for 3-methoxy-2-methyl-2,5-dihydrothiophene?
The canonical SMILES for 3-methoxy-2-methyl-2,5-dihydrothiophene is COC1=CCSC1C.
What is the InChIKey of 3-methoxy-2-methyl-2,5-dihydrothiophene?
The InChIKey is DZAGQHJPNXHKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-5-6(7-2)3-4-8-5/h3,5H,4H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-2,5-dihydrothiophene?
3-methoxy-2-methyl-2,5-dihydrothiophene has a molecular weight of 130.21 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-2,5-dihydrothiophene is sourced from PubChem (CID 130205381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).