5-Methyl-2,3-dihydrothiophene

C5H8S — CID 559083

IUPAC5-methyl-2,3-dihydrothiophene
SMILESCC1=CCCS1
InChIInChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
InChIKeyKBUVXRDFMQNIPD-UHFFFAOYSA-N
MW100.18 g/mol
LogP1.70
Rot. Bonds

About 5-Methyl-2,3-dihydrothiophene

5-Methyl-2,3-dihydrothiophene (PubChem CID 559083) has the molecular formula C5H8S and a molecular weight of 100.18 g/mol. Its IUPAC name is 5-methyl-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-Methyl-2,3-dihydrothiophene
PubChem CID559083
Molecular FormulaC5H8S
Molecular Weight100.18 g/mol
Exact Mass100.03
IUPAC Name5-methyl-2,3-dihydrothiophene
SMILESCC1=CCCS1
InChIInChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3
InChIKeyKBUVXRDFMQNIPD-UHFFFAOYSA-N
XLogP1.70
TPSA25.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity74

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-Methyl-2,3-dihydrothiophene?
The IUPAC name of 5-Methyl-2,3-dihydrothiophene (CID 559083) is 5-methyl-2,3-dihydrothiophene.
What is the SMILES notation for 5-Methyl-2,3-dihydrothiophene?
The canonical SMILES for 5-Methyl-2,3-dihydrothiophene is CC1=CCCS1.
What is the InChIKey of 5-Methyl-2,3-dihydrothiophene?
The InChIKey is KBUVXRDFMQNIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S/c1-5-3-2-4-6-5/h3H,2,4H2,1H3.
What are the key properties of 5-Methyl-2,3-dihydrothiophene?
5-Methyl-2,3-dihydrothiophene has a molecular weight of 100.18 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methyl-2,3-dihydrothiophene is sourced from PubChem (CID 559083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).