3-methylidene-4-propan-2-ylthiophene

C8H12S — CID 59293498

IUPAC3-methylidene-4-propan-2-ylthiophene
SMILESC=C1CSC=C1C(C)C
InChIInChI=1S/C8H12S/c1-6(2)8-5-9-4-7(8)3/h5-6H,3-4H2,1-2H3
InChIKeyDAGIIJLUZJKVRT-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.83
Rot. Bonds1

About 3-methylidene-4-propan-2-ylthiophene

3-methylidene-4-propan-2-ylthiophene (PubChem CID 59293498) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 3-methylidene-4-propan-2-ylthiophene.

Molecular Properties

Compound Name3-methylidene-4-propan-2-ylthiophene
PubChem CID59293498
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name3-methylidene-4-propan-2-ylthiophene
SMILESC=C1CSC=C1C(C)C
InChIInChI=1S/C8H12S/c1-6(2)8-5-9-4-7(8)3/h5-6H,3-4H2,1-2H3
InChIKeyDAGIIJLUZJKVRT-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-propan-2-ylthiophene?
The IUPAC name of 3-methylidene-4-propan-2-ylthiophene (CID 59293498) is 3-methylidene-4-propan-2-ylthiophene.
What is the SMILES notation for 3-methylidene-4-propan-2-ylthiophene?
The canonical SMILES for 3-methylidene-4-propan-2-ylthiophene is C=C1CSC=C1C(C)C.
What is the InChIKey of 3-methylidene-4-propan-2-ylthiophene?
The InChIKey is DAGIIJLUZJKVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-6(2)8-5-9-4-7(8)3/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-methylidene-4-propan-2-ylthiophene?
3-methylidene-4-propan-2-ylthiophene has a molecular weight of 140.25 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-propan-2-ylthiophene is sourced from PubChem (CID 59293498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).