5-tert-butyl-6-propan-2-yl-2-benzothiophene

C15H20S — CID 155404019

IUPAC5-tert-butyl-6-propan-2-yl-2-benzothiophene
SMILESCC(C)c1cc2cscc2cc1C(C)(C)C
InChIInChI=1S/C15H20S/c1-10(2)13-6-11-8-16-9-12(11)7-14(13)15(3,4)5/h6-10H,1-5H3
InChIKeyWIYVEQKZXFUXHN-UHFFFAOYSA-N
MW232.39 g/mol
LogP5.32
Rot. Bonds1

About 5-tert-butyl-6-propan-2-yl-2-benzothiophene

5-tert-butyl-6-propan-2-yl-2-benzothiophene (PubChem CID 155404019) has the molecular formula C15H20S and a molecular weight of 232.39 g/mol. Its IUPAC name is 5-tert-butyl-6-propan-2-yl-2-benzothiophene.

Molecular Properties

Compound Name5-tert-butyl-6-propan-2-yl-2-benzothiophene
PubChem CID155404019
Molecular FormulaC15H20S
Molecular Weight232.39 g/mol
Exact Mass232.13
IUPAC Name5-tert-butyl-6-propan-2-yl-2-benzothiophene
SMILESCC(C)c1cc2cscc2cc1C(C)(C)C
InChIInChI=1S/C15H20S/c1-10(2)13-6-11-8-16-9-12(11)7-14(13)15(3,4)5/h6-10H,1-5H3
InChIKeyWIYVEQKZXFUXHN-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.39
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-propan-2-yl-2-benzothiophene?
The IUPAC name of 5-tert-butyl-6-propan-2-yl-2-benzothiophene (CID 155404019) is 5-tert-butyl-6-propan-2-yl-2-benzothiophene.
What is the SMILES notation for 5-tert-butyl-6-propan-2-yl-2-benzothiophene?
The canonical SMILES for 5-tert-butyl-6-propan-2-yl-2-benzothiophene is CC(C)c1cc2cscc2cc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-propan-2-yl-2-benzothiophene?
The InChIKey is WIYVEQKZXFUXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20S/c1-10(2)13-6-11-8-16-9-12(11)7-14(13)15(3,4)5/h6-10H,1-5H3.
What are the key properties of 5-tert-butyl-6-propan-2-yl-2-benzothiophene?
5-tert-butyl-6-propan-2-yl-2-benzothiophene has a molecular weight of 232.39 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-propan-2-yl-2-benzothiophene is sourced from PubChem (CID 155404019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).