4-butan-2-yl-2,3-bis(ethenyl)thiophene

C12H16S — CID 155694915

IUPAC4-butan-2-yl-2,3-bis(ethenyl)thiophene
SMILESC=Cc1scc(C(C)CC)c1C=C
InChIInChI=1S/C12H16S/c1-5-9(4)11-8-13-12(7-3)10(11)6-2/h6-9H,2-3,5H2,1,4H3
InChIKeyMYXQJQVKVCDELR-UHFFFAOYSA-N
MW192.33 g/mol
LogP4.55
Rot. Bonds4

About 4-butan-2-yl-2,3-bis(ethenyl)thiophene

4-butan-2-yl-2,3-bis(ethenyl)thiophene (PubChem CID 155694915) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 4-butan-2-yl-2,3-bis(ethenyl)thiophene.

Molecular Properties

Compound Name4-butan-2-yl-2,3-bis(ethenyl)thiophene
PubChem CID155694915
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name4-butan-2-yl-2,3-bis(ethenyl)thiophene
SMILESC=Cc1scc(C(C)CC)c1C=C
InChIInChI=1S/C12H16S/c1-5-9(4)11-8-13-12(7-3)10(11)6-2/h6-9H,2-3,5H2,1,4H3
InChIKeyMYXQJQVKVCDELR-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butan-2-yl-2,3-bis(ethenyl)thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,3-bis(ethenyl)thiophene?
The IUPAC name of 4-butan-2-yl-2,3-bis(ethenyl)thiophene (CID 155694915) is 4-butan-2-yl-2,3-bis(ethenyl)thiophene.
What is the SMILES notation for 4-butan-2-yl-2,3-bis(ethenyl)thiophene?
The canonical SMILES for 4-butan-2-yl-2,3-bis(ethenyl)thiophene is C=Cc1scc(C(C)CC)c1C=C.
What is the InChIKey of 4-butan-2-yl-2,3-bis(ethenyl)thiophene?
The InChIKey is MYXQJQVKVCDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-5-9(4)11-8-13-12(7-3)10(11)6-2/h6-9H,2-3,5H2,1,4H3.
What are the key properties of 4-butan-2-yl-2,3-bis(ethenyl)thiophene?
4-butan-2-yl-2,3-bis(ethenyl)thiophene has a molecular weight of 192.33 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,3-bis(ethenyl)thiophene is sourced from PubChem (CID 155694915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).