5,6-dimethyl-5,6-dihydro-1-benzothiophene

C10H12S — CID 89061095

IUPAC5,6-dimethyl-5,6-dihydro-1-benzothiophene
SMILESCC1C=c2ccsc2=CC1C
InChIInChI=1S/C10H12S/c1-7-5-9-3-4-11-10(9)6-8(7)2/h3-8H,1-2H3
InChIKeyQAAGHYIURDYVJL-UHFFFAOYSA-N
MW164.27 g/mol
LogP1.59
Rot. Bonds

About 5,6-dimethyl-5,6-dihydro-1-benzothiophene

5,6-dimethyl-5,6-dihydro-1-benzothiophene (PubChem CID 89061095) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 5,6-dimethyl-5,6-dihydro-1-benzothiophene.

Molecular Properties

Compound Name5,6-dimethyl-5,6-dihydro-1-benzothiophene
PubChem CID89061095
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name5,6-dimethyl-5,6-dihydro-1-benzothiophene
SMILESCC1C=c2ccsc2=CC1C
InChIInChI=1S/C10H12S/c1-7-5-9-3-4-11-10(9)6-8(7)2/h3-8H,1-2H3
InChIKeyQAAGHYIURDYVJL-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-5,6-dihydro-1-benzothiophene?
The IUPAC name of 5,6-dimethyl-5,6-dihydro-1-benzothiophene (CID 89061095) is 5,6-dimethyl-5,6-dihydro-1-benzothiophene.
What is the SMILES notation for 5,6-dimethyl-5,6-dihydro-1-benzothiophene?
The canonical SMILES for 5,6-dimethyl-5,6-dihydro-1-benzothiophene is CC1C=c2ccsc2=CC1C.
What is the InChIKey of 5,6-dimethyl-5,6-dihydro-1-benzothiophene?
The InChIKey is QAAGHYIURDYVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-7-5-9-3-4-11-10(9)6-8(7)2/h3-8H,1-2H3.
What are the key properties of 5,6-dimethyl-5,6-dihydro-1-benzothiophene?
5,6-dimethyl-5,6-dihydro-1-benzothiophene has a molecular weight of 164.27 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-5,6-dihydro-1-benzothiophene is sourced from PubChem (CID 89061095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).