3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene

C10H12S — CID 123766464

IUPAC3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene
SMILESC=C1CCCc2scc(C)c21
InChIInChI=1S/C10H12S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h6H,1,3-5H2,2H3
InChIKeyPPVLYFPLIKOSJZ-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.41
Rot. Bonds

About 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene

3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene (PubChem CID 123766464) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene.

Molecular Properties

Compound Name3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene
PubChem CID123766464
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene
SMILESC=C1CCCc2scc(C)c21
InChIInChI=1S/C10H12S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h6H,1,3-5H2,2H3
InChIKeyPPVLYFPLIKOSJZ-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene?
The IUPAC name of 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene (CID 123766464) is 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene.
What is the SMILES notation for 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene?
The canonical SMILES for 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene is C=C1CCCc2scc(C)c21.
What is the InChIKey of 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene?
The InChIKey is PPVLYFPLIKOSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-7-4-3-5-9-10(7)8(2)6-11-9/h6H,1,3-5H2,2H3.
What are the key properties of 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene?
3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene has a molecular weight of 164.27 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylidene-6,7-dihydro-5H-1-benzothiophene is sourced from PubChem (CID 123766464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).