2-methyl-2,5-dihydrothiophene

C5H8S — CID 13115594

IUPAC2-methyl-2,5-dihydrothiophene
SMILESCC1C=CCS1
InChIInChI=1S/C5H8S/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3
InChIKeyCWIAXEXRHPGMSD-UHFFFAOYSA-N
MW100.19 g/mol
LogP1.68
Rot. Bonds

About 2-methyl-2,5-dihydrothiophene

2-methyl-2,5-dihydrothiophene (PubChem CID 13115594) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is 2-methyl-2,5-dihydrothiophene.

Molecular Properties

Compound Name2-methyl-2,5-dihydrothiophene
PubChem CID13115594
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name2-methyl-2,5-dihydrothiophene
SMILESCC1C=CCS1
InChIInChI=1S/C5H8S/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3
InChIKeyCWIAXEXRHPGMSD-UHFFFAOYSA-N
XLogP1.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,5-dihydrothiophene?
The IUPAC name of 2-methyl-2,5-dihydrothiophene (CID 13115594) is 2-methyl-2,5-dihydrothiophene.
What is the SMILES notation for 2-methyl-2,5-dihydrothiophene?
The canonical SMILES for 2-methyl-2,5-dihydrothiophene is CC1C=CCS1.
What is the InChIKey of 2-methyl-2,5-dihydrothiophene?
The InChIKey is CWIAXEXRHPGMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-5-3-2-4-6-5/h2-3,5H,4H2,1H3.
What are the key properties of 2-methyl-2,5-dihydrothiophene?
2-methyl-2,5-dihydrothiophene has a molecular weight of 100.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,5-dihydrothiophene is sourced from PubChem (CID 13115594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).