5-methyl-3-propan-2-yl-1-benzothiophene

C12H14S — CID 118151187

IUPAC5-methyl-3-propan-2-yl-1-benzothiophene
SMILESCc1ccc2scc(C(C)C)c2c1
InChIInChI=1S/C12H14S/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3
InChIKeyRLZAEAIGLQXKJF-UHFFFAOYSA-N
MW190.31 g/mol
LogP4.33
Rot. Bonds1

About 5-methyl-3-propan-2-yl-1-benzothiophene

5-methyl-3-propan-2-yl-1-benzothiophene (PubChem CID 118151187) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is 5-methyl-3-propan-2-yl-1-benzothiophene.

Molecular Properties

Compound Name5-methyl-3-propan-2-yl-1-benzothiophene
PubChem CID118151187
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name5-methyl-3-propan-2-yl-1-benzothiophene
SMILESCc1ccc2scc(C(C)C)c2c1
InChIInChI=1S/C12H14S/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3
InChIKeyRLZAEAIGLQXKJF-UHFFFAOYSA-N
XLogP4.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-1-benzothiophene-3-thiol
CID 142071872
2-(5-methyl-1-benzothiophen-3-yl)heptan-1-amine
CID 19597995
2-(5-methyl-1-benzothiophen-3-yl)propan-2-ol
CID 117120694
3-propan-2-ylthieno[3,4-b]thiophene
CID 89346622
methyl-(5-methyl-1-benzothiophen-3-yl)borinic acid
CID 58343955
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
CID 117120717
2-(5-chloro-1-benzothiophen-3-yl)propanoyl chloride
CID 119091237
2-(5-methyl-1-benzothiophen-3-yl)acetonitrile
CID 738617
4-methyl-1-(4-methyl-2-propan-2-ylphenyl)sulfanyl-2-propan-2-ylbenzene
CID 156775921
1,6-dimethyl-4-propan-2-ylnaphthalene
CID 10225
3-[bromo-(2,4-dimethylphenyl)methyl]-1-benzothiophene
CID 63437623

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propan-2-yl-1-benzothiophene?
The IUPAC name of 5-methyl-3-propan-2-yl-1-benzothiophene (CID 118151187) is 5-methyl-3-propan-2-yl-1-benzothiophene.
What is the SMILES notation for 5-methyl-3-propan-2-yl-1-benzothiophene?
The canonical SMILES for 5-methyl-3-propan-2-yl-1-benzothiophene is Cc1ccc2scc(C(C)C)c2c1.
What is the InChIKey of 5-methyl-3-propan-2-yl-1-benzothiophene?
The InChIKey is RLZAEAIGLQXKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-8(2)11-7-13-12-5-4-9(3)6-10(11)12/h4-8H,1-3H3.
What are the key properties of 5-methyl-3-propan-2-yl-1-benzothiophene?
5-methyl-3-propan-2-yl-1-benzothiophene has a molecular weight of 190.31 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propan-2-yl-1-benzothiophene is sourced from PubChem (CID 118151187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).