3-but-1-en-2-ylthiophene

C8H10S — CID 91086928

IUPAC3-but-1-en-2-ylthiophene
SMILESC=C(CC)c1ccsc1
InChIInChI=1S/C8H10S/c1-3-7(2)8-4-5-9-6-8/h4-6H,2-3H2,1H3
InChIKeyBUXBDKNWDBWVIG-UHFFFAOYSA-N
MW138.23 g/mol
LogP3.17
Rot. Bonds2

About 3-but-1-en-2-ylthiophene

3-but-1-en-2-ylthiophene (PubChem CID 91086928) has the molecular formula C8H10S and a molecular weight of 138.23 g/mol. Its IUPAC name is 3-but-1-en-2-ylthiophene.

Molecular Properties

Compound Name3-but-1-en-2-ylthiophene
PubChem CID91086928
Molecular FormulaC8H10S
Molecular Weight138.23 g/mol
Exact Mass138.05
IUPAC Name3-but-1-en-2-ylthiophene
SMILESC=C(CC)c1ccsc1
InChIInChI=1S/C8H10S/c1-3-7(2)8-4-5-9-6-8/h4-6H,2-3H2,1H3
InChIKeyBUXBDKNWDBWVIG-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-en-2-ylthiophene?
The IUPAC name of 3-but-1-en-2-ylthiophene (CID 91086928) is 3-but-1-en-2-ylthiophene.
What is the SMILES notation for 3-but-1-en-2-ylthiophene?
The canonical SMILES for 3-but-1-en-2-ylthiophene is C=C(CC)c1ccsc1.
What is the InChIKey of 3-but-1-en-2-ylthiophene?
The InChIKey is BUXBDKNWDBWVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-3-7(2)8-4-5-9-6-8/h4-6H,2-3H2,1H3.
What are the key properties of 3-but-1-en-2-ylthiophene?
3-but-1-en-2-ylthiophene has a molecular weight of 138.23 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-en-2-ylthiophene is sourced from PubChem (CID 91086928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).