6,7,7,7a-tetramethyl-1-benzothiophene

C12H16S — CID 59419983

IUPAC6,7,7,7a-tetramethyl-1-benzothiophene
SMILESCC1=CC=C2C=CSC2(C)C1(C)C
InChIInChI=1S/C12H16S/c1-9-5-6-10-7-8-13-12(10,4)11(9,2)3/h5-8H,1-4H3
InChIKeyUJNCOCLLSTVXCU-UHFFFAOYSA-N
MW192.33 g/mol
LogP3.92
Rot. Bonds

About 6,7,7,7a-tetramethyl-1-benzothiophene

6,7,7,7a-tetramethyl-1-benzothiophene (PubChem CID 59419983) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is 6,7,7,7a-tetramethyl-1-benzothiophene.

Molecular Properties

Compound Name6,7,7,7a-tetramethyl-1-benzothiophene
PubChem CID59419983
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name6,7,7,7a-tetramethyl-1-benzothiophene
SMILESCC1=CC=C2C=CSC2(C)C1(C)C
InChIInChI=1S/C12H16S/c1-9-5-6-10-7-8-13-12(10,4)11(9,2)3/h5-8H,1-4H3
InChIKeyUJNCOCLLSTVXCU-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7,7,7a-tetramethyl-1-benzothiophene?
The IUPAC name of 6,7,7,7a-tetramethyl-1-benzothiophene (CID 59419983) is 6,7,7,7a-tetramethyl-1-benzothiophene.
What is the SMILES notation for 6,7,7,7a-tetramethyl-1-benzothiophene?
The canonical SMILES for 6,7,7,7a-tetramethyl-1-benzothiophene is CC1=CC=C2C=CSC2(C)C1(C)C.
What is the InChIKey of 6,7,7,7a-tetramethyl-1-benzothiophene?
The InChIKey is UJNCOCLLSTVXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16S/c1-9-5-6-10-7-8-13-12(10,4)11(9,2)3/h5-8H,1-4H3.
What are the key properties of 6,7,7,7a-tetramethyl-1-benzothiophene?
6,7,7,7a-tetramethyl-1-benzothiophene has a molecular weight of 192.33 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7,7a-tetramethyl-1-benzothiophene is sourced from PubChem (CID 59419983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).