3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene

C13H14S — CID 153139876

IUPAC3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
SMILESCC(C)=Cc1sc2ccccc2c1C
InChIInChI=1S/C13H14S/c1-9(2)8-13-10(3)11-6-4-5-7-12(11)14-13/h4-8H,1-3H3
InChIKeyVYKHMTDIAZEFEH-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.63
Rot. Bonds1

About 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene

3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene (PubChem CID 153139876) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene.

Molecular Properties

Compound Name3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
PubChem CID153139876
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
SMILESCC(C)=Cc1sc2ccccc2c1C
InChIInChI=1S/C13H14S/c1-9(2)8-13-10(3)11-6-4-5-7-12(11)14-13/h4-8H,1-3H3
InChIKeyVYKHMTDIAZEFEH-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-methyl-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid
CID 170872982
[(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enyl]boronic acid
CID 144583110
3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene
CID 91256916
(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-en-1-imine
CID 160695721
3-methyl-2-[(E)-2-nitroethenyl]-1-benzothiophene
CID 102193438
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
2-methoxy-5-(3-methyl-1-benzothiophen-2-yl)penta-2,4-dienoate
CID 131721647
bis(dibenzothiophene);ethane
CID 143921746
1-(4-chlorophenyl)-3-[(3-methyl-1-benzothiophen-2-yl)methylideneamino]thiourea
CID 2824330
3-methyl-2-(4-methylpenta-1,4-dien-2-yl)-1-benzothiophene
CID 174313018
3-ethyl-1-benzothiophene-2-carbaldehyde
CID 82374273
3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
CID 102393562

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene?
The IUPAC name of 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene (CID 153139876) is 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene.
What is the SMILES notation for 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene?
The canonical SMILES for 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene is CC(C)=Cc1sc2ccccc2c1C.
What is the InChIKey of 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene?
The InChIKey is VYKHMTDIAZEFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-9(2)8-13-10(3)11-6-4-5-7-12(11)14-13/h4-8H,1-3H3.
What are the key properties of 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene?
3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene has a molecular weight of 202.32 g/mol, XLogP of 4.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene is sourced from PubChem (CID 153139876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).