5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene

C13H15ClS — CID 58689208

IUPAC5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
SMILESCC(C)(C)Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C13H15ClS/c1-13(2,3)8-11-7-9-6-10(14)4-5-12(9)15-11/h4-7H,8H2,1-3H3
InChIKeyJEEOVVKASODAJK-UHFFFAOYSA-N
MW238.78 g/mol
LogP5.14
Rot. Bonds1

About 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene

5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene (PubChem CID 58689208) has the molecular formula C13H15ClS and a molecular weight of 238.78 g/mol. Its IUPAC name is 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene.

Molecular Properties

Compound Name5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
PubChem CID58689208
Molecular FormulaC13H15ClS
Molecular Weight238.78 g/mol
Exact Mass238.06
IUPAC Name5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
SMILESCC(C)(C)Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C13H15ClS/c1-13(2,3)8-11-7-9-6-10(14)4-5-12(9)15-11/h4-7H,8H2,1-3H3
InChIKeyJEEOVVKASODAJK-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.78
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride
CID 119092270
1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
CID 82662571
2-(5-chloro-1-benzothiophen-2-yl)acetonitrile
CID 15155567
2-(5-chloro-1-benzothiophen-2-yl)propan-2-ol
CID 117121243
5-chloro-2-methyl-1-benzothiophene
CID 2747689
5-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
N-[(5-chloro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176302
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
(5-tert-butyl-1-benzothiophen-2-yl)methanamine
CID 84740294
3-(5-fluoro-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117195222
N-(1-amino-2-methylpropan-2-yl)-5-chloro-1-benzothiophene-2-sulfonamide
CID 119975725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene?
The IUPAC name of 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene (CID 58689208) is 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene.
What is the SMILES notation for 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene?
The canonical SMILES for 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene is CC(C)(C)Cc1cc2cc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene?
The InChIKey is JEEOVVKASODAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClS/c1-13(2,3)8-11-7-9-6-10(14)4-5-12(9)15-11/h4-7H,8H2,1-3H3.
What are the key properties of 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene?
5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene has a molecular weight of 238.78 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene is sourced from PubChem (CID 58689208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).