2-methyl-2,3-dihydrothiophene

C5H8S — CID 22054765

IUPAC2-methyl-2,3-dihydrothiophene
SMILESCC1CC=CS1
InChIInChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3
InChIKeyMFAXBTKOLOJEHX-UHFFFAOYSA-N
MW100.19 g/mol
LogP2.03
Rot. Bonds

About 2-methyl-2,3-dihydrothiophene

2-methyl-2,3-dihydrothiophene (PubChem CID 22054765) has the molecular formula C5H8S and a molecular weight of 100.19 g/mol. Its IUPAC name is 2-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name2-methyl-2,3-dihydrothiophene
PubChem CID22054765
Molecular FormulaC5H8S
Molecular Weight100.19 g/mol
Exact Mass100.03
IUPAC Name2-methyl-2,3-dihydrothiophene
SMILESCC1CC=CS1
InChIInChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3
InChIKeyMFAXBTKOLOJEHX-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydrothiophene?
The IUPAC name of 2-methyl-2,3-dihydrothiophene (CID 22054765) is 2-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 2-methyl-2,3-dihydrothiophene?
The canonical SMILES for 2-methyl-2,3-dihydrothiophene is CC1CC=CS1.
What is the InChIKey of 2-methyl-2,3-dihydrothiophene?
The InChIKey is MFAXBTKOLOJEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-5-3-2-4-6-5/h2,4-5H,3H2,1H3.
What are the key properties of 2-methyl-2,3-dihydrothiophene?
2-methyl-2,3-dihydrothiophene has a molecular weight of 100.19 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydrothiophene is sourced from PubChem (CID 22054765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).