3-propan-2-ylidenethiophene

C7H10S — CID 58926143

IUPAC3-propan-2-ylidenethiophene
SMILESCC(C)=C1C=CSC1
InChIInChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-4H,5H2,1-2H3
InChIKeyBIAJBIAPRGQZAX-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.58
Rot. Bonds

About 3-propan-2-ylidenethiophene

3-propan-2-ylidenethiophene (PubChem CID 58926143) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 3-propan-2-ylidenethiophene.

Molecular Properties

Compound Name3-propan-2-ylidenethiophene
PubChem CID58926143
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name3-propan-2-ylidenethiophene
SMILESCC(C)=C1C=CSC1
InChIInChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-4H,5H2,1-2H3
InChIKeyBIAJBIAPRGQZAX-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidenethiophene?
The IUPAC name of 3-propan-2-ylidenethiophene (CID 58926143) is 3-propan-2-ylidenethiophene.
What is the SMILES notation for 3-propan-2-ylidenethiophene?
The canonical SMILES for 3-propan-2-ylidenethiophene is CC(C)=C1C=CSC1.
What is the InChIKey of 3-propan-2-ylidenethiophene?
The InChIKey is BIAJBIAPRGQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-6(2)7-3-4-8-5-7/h3-4H,5H2,1-2H3.
What are the key properties of 3-propan-2-ylidenethiophene?
3-propan-2-ylidenethiophene has a molecular weight of 126.22 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidenethiophene is sourced from PubChem (CID 58926143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).