3-methoxy-2,3-dihydrothiophene

C5H8OS — CID 89093409

IUPAC3-methoxy-2,3-dihydrothiophene
SMILESCOC1C=CSC1
InChIInChI=1S/C5H8OS/c1-6-5-2-3-7-4-5/h2-3,5H,4H2,1H3
InChIKeyIZWIAIUEURTDHK-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.26
Rot. Bonds1

About 3-methoxy-2,3-dihydrothiophene

3-methoxy-2,3-dihydrothiophene (PubChem CID 89093409) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 3-methoxy-2,3-dihydrothiophene.

Molecular Properties

Compound Name3-methoxy-2,3-dihydrothiophene
PubChem CID89093409
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3-methoxy-2,3-dihydrothiophene
SMILESCOC1C=CSC1
InChIInChI=1S/C5H8OS/c1-6-5-2-3-7-4-5/h2-3,5H,4H2,1H3
InChIKeyIZWIAIUEURTDHK-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methoxy-2,3-dihydrothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiophene, 2,3-dihydro-3-methoxy-, 1,1-dioxide
CID 43827502
1,3-Oxathiolane, 2,5-dimethyl-4-methylene-
CID 12286803
2,3-Epoxy-2,3-dihydrothiophene
CID 129714970
4-methoxy-3,4-dihydro-2H-thiopyran
CID 20213450
3-Prop-2-enoxythiolane
CID 20311166
3-But-3-en-2-yloxythiolane
CID 21410044
(4S)-4-methoxy-3,4-dihydro-2H-thiopyran
CID 22846029
2-Ethenyl-1,4-oxathiane
CID 67652907
3-Methoxy-2-methyl-2,3-dihydrothiophene
CID 69930943
5-Ethenyl-2-methyl-1,3-oxathiolane
CID 70232072
2-Ethylsulfanylethoxyethene
CID 87255384
3-Ethoxy-4-(2-ethoxybut-3-enylsulfanyl)but-1-ene
CID 87899821

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-dihydrothiophene?
The IUPAC name of 3-methoxy-2,3-dihydrothiophene (CID 89093409) is 3-methoxy-2,3-dihydrothiophene.
What is the SMILES notation for 3-methoxy-2,3-dihydrothiophene?
The canonical SMILES for 3-methoxy-2,3-dihydrothiophene is COC1C=CSC1.
What is the InChIKey of 3-methoxy-2,3-dihydrothiophene?
The InChIKey is IZWIAIUEURTDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-6-5-2-3-7-4-5/h2-3,5H,4H2,1H3.
What are the key properties of 3-methoxy-2,3-dihydrothiophene?
3-methoxy-2,3-dihydrothiophene has a molecular weight of 116.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-dihydrothiophene is sourced from PubChem (CID 89093409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).