6-methyl-3a,4-dihydro-1-benzothiophene

C9H10S — CID 22928876

IUPAC6-methyl-3a,4-dihydro-1-benzothiophene
SMILESCC1=CCC2C=CSC2=C1
InChIInChI=1S/C9H10S/c1-7-2-3-8-4-5-10-9(8)6-7/h2,4-6,8H,3H2,1H3
InChIKeyBZOIQZCLLOUBQL-UHFFFAOYSA-N
MW150.25 g/mol
LogP3.10
Rot. Bonds

About 6-methyl-3a,4-dihydro-1-benzothiophene

6-methyl-3a,4-dihydro-1-benzothiophene (PubChem CID 22928876) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 6-methyl-3a,4-dihydro-1-benzothiophene.

Molecular Properties

Compound Name6-methyl-3a,4-dihydro-1-benzothiophene
PubChem CID22928876
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name6-methyl-3a,4-dihydro-1-benzothiophene
SMILESCC1=CCC2C=CSC2=C1
InChIInChI=1S/C9H10S/c1-7-2-3-8-4-5-10-9(8)6-7/h2,4-6,8H,3H2,1H3
InChIKeyBZOIQZCLLOUBQL-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3a,4-dihydro-1-benzothiophene?
The IUPAC name of 6-methyl-3a,4-dihydro-1-benzothiophene (CID 22928876) is 6-methyl-3a,4-dihydro-1-benzothiophene.
What is the SMILES notation for 6-methyl-3a,4-dihydro-1-benzothiophene?
The canonical SMILES for 6-methyl-3a,4-dihydro-1-benzothiophene is CC1=CCC2C=CSC2=C1.
What is the InChIKey of 6-methyl-3a,4-dihydro-1-benzothiophene?
The InChIKey is BZOIQZCLLOUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-7-2-3-8-4-5-10-9(8)6-7/h2,4-6,8H,3H2,1H3.
What are the key properties of 6-methyl-3a,4-dihydro-1-benzothiophene?
6-methyl-3a,4-dihydro-1-benzothiophene has a molecular weight of 150.25 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3a,4-dihydro-1-benzothiophene is sourced from PubChem (CID 22928876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).