5-(2-methylbutan-2-yl)-1-benzothiophene

C13H16S — CID 137451067

IUPAC5-(2-methylbutan-2-yl)-1-benzothiophene
SMILESCCC(C)(C)c1ccc2sccc2c1
InChIInChI=1S/C13H16S/c1-4-13(2,3)11-5-6-12-10(9-11)7-8-14-12/h5-9H,4H2,1-3H3
InChIKeyHZHLDTJQWGTPRG-UHFFFAOYSA-N
MW204.34 g/mol
LogP4.59
Rot. Bonds2

About 5-(2-methylbutan-2-yl)-1-benzothiophene

5-(2-methylbutan-2-yl)-1-benzothiophene (PubChem CID 137451067) has the molecular formula C13H16S and a molecular weight of 204.34 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-1-benzothiophene
PubChem CID137451067
Molecular FormulaC13H16S
Molecular Weight204.34 g/mol
Exact Mass204.10
IUPAC Name5-(2-methylbutan-2-yl)-1-benzothiophene
SMILESCCC(C)(C)c1ccc2sccc2c1
InChIInChI=1S/C13H16S/c1-4-13(2,3)11-5-6-12-10(9-11)7-8-14-12/h5-9H,4H2,1-3H3
InChIKeyHZHLDTJQWGTPRG-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.34
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-methylpentan-2-yl)-1-benzothiophene
CID 134565390
2-tert-butyl-5-(2-methylbutan-2-yl)-1,3-benzothiazole
CID 71228887
1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
3-(1-benzothiophen-6-yl)pentan-3-ol
CID 58731340
[4-(2-methylbutan-2-yl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanol
CID 80738896
5-butoxy-1-benzothiophene
CID 23058090
(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
CID 130635680
5,6-ditert-butyl-1-benzothiophene
CID 58774764
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
1-chloro-2-fluoro-4-(2-methylbutan-2-yl)benzene
CID 134402395
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
5-bromo-1-benzothiophene
CID 2776578

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-1-benzothiophene?
The IUPAC name of 5-(2-methylbutan-2-yl)-1-benzothiophene (CID 137451067) is 5-(2-methylbutan-2-yl)-1-benzothiophene.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-1-benzothiophene?
The canonical SMILES for 5-(2-methylbutan-2-yl)-1-benzothiophene is CCC(C)(C)c1ccc2sccc2c1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-1-benzothiophene?
The InChIKey is HZHLDTJQWGTPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16S/c1-4-13(2,3)11-5-6-12-10(9-11)7-8-14-12/h5-9H,4H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-yl)-1-benzothiophene?
5-(2-methylbutan-2-yl)-1-benzothiophene has a molecular weight of 204.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-1-benzothiophene is sourced from PubChem (CID 137451067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).