2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene

C14H20S — CID 18709676

IUPAC2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene
SMILESCc1c(C)c(C)c2c(c1C)SC(C)C2C
InChIInChI=1S/C14H20S/c1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-14/h11-12H,1-6H3
InChIKeyOESSFMGVJPUFLN-UHFFFAOYSA-N
MW220.38 g/mol
LogP4.52
Rot. Bonds

About 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene

2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene (PubChem CID 18709676) has the molecular formula C14H20S and a molecular weight of 220.38 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene
PubChem CID18709676
Molecular FormulaC14H20S
Molecular Weight220.38 g/mol
Exact Mass220.13
IUPAC Name2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene
SMILESCc1c(C)c(C)c2c(c1C)SC(C)C2C
InChIInChI=1S/C14H20S/c1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-14/h11-12H,1-6H3
InChIKeyOESSFMGVJPUFLN-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene (CID 18709676) is 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene is Cc1c(C)c(C)c2c(c1C)SC(C)C2C.
What is the InChIKey of 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene?
The InChIKey is OESSFMGVJPUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20S/c1-7-8(2)10(4)14-13(9(7)3)11(5)12(6)15-14/h11-12H,1-6H3.
What are the key properties of 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene?
2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene has a molecular weight of 220.38 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexamethyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 18709676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).