3-propan-2-ylidene-1H-2-benzothiophene

C11H12S — CID 21279499

IUPAC3-propan-2-ylidene-1H-2-benzothiophene
SMILESCC(C)=C1SCc2ccccc21
InChIInChI=1S/C11H12S/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6H,7H2,1-2H3
InChIKeyDSKSSJNGZAHPAX-UHFFFAOYSA-N
MW176.28 g/mol
LogP3.68
Rot. Bonds

About 3-propan-2-ylidene-1H-2-benzothiophene

3-propan-2-ylidene-1H-2-benzothiophene (PubChem CID 21279499) has the molecular formula C11H12S and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-propan-2-ylidene-1H-2-benzothiophene.

Molecular Properties

Compound Name3-propan-2-ylidene-1H-2-benzothiophene
PubChem CID21279499
Molecular FormulaC11H12S
Molecular Weight176.28 g/mol
Exact Mass176.07
IUPAC Name3-propan-2-ylidene-1H-2-benzothiophene
SMILESCC(C)=C1SCc2ccccc21
InChIInChI=1S/C11H12S/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6H,7H2,1-2H3
InChIKeyDSKSSJNGZAHPAX-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidene-1H-2-benzothiophene?
The IUPAC name of 3-propan-2-ylidene-1H-2-benzothiophene (CID 21279499) is 3-propan-2-ylidene-1H-2-benzothiophene.
What is the SMILES notation for 3-propan-2-ylidene-1H-2-benzothiophene?
The canonical SMILES for 3-propan-2-ylidene-1H-2-benzothiophene is CC(C)=C1SCc2ccccc21.
What is the InChIKey of 3-propan-2-ylidene-1H-2-benzothiophene?
The InChIKey is DSKSSJNGZAHPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12S/c1-8(2)11-10-6-4-3-5-9(10)7-12-11/h3-6H,7H2,1-2H3.
What are the key properties of 3-propan-2-ylidene-1H-2-benzothiophene?
3-propan-2-ylidene-1H-2-benzothiophene has a molecular weight of 176.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidene-1H-2-benzothiophene is sourced from PubChem (CID 21279499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).