2-methyl-3a,7a-dihydro-1-benzothiophene

C9H10S — CID 58760220

IUPAC2-methyl-3a,7a-dihydro-1-benzothiophene
SMILESCC1=CC2C=CC=CC2S1
InChIInChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,8-9H,1H3
InChIKeyVYVQTKKMISMRRC-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.75
Rot. Bonds

About 2-methyl-3a,7a-dihydro-1-benzothiophene

2-methyl-3a,7a-dihydro-1-benzothiophene (PubChem CID 58760220) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 2-methyl-3a,7a-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-methyl-3a,7a-dihydro-1-benzothiophene
PubChem CID58760220
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name2-methyl-3a,7a-dihydro-1-benzothiophene
SMILESCC1=CC2C=CC=CC2S1
InChIInChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,8-9H,1H3
InChIKeyVYVQTKKMISMRRC-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3a,7a-dihydro-1-benzothiophene?
The IUPAC name of 2-methyl-3a,7a-dihydro-1-benzothiophene (CID 58760220) is 2-methyl-3a,7a-dihydro-1-benzothiophene.
What is the SMILES notation for 2-methyl-3a,7a-dihydro-1-benzothiophene?
The canonical SMILES for 2-methyl-3a,7a-dihydro-1-benzothiophene is CC1=CC2C=CC=CC2S1.
What is the InChIKey of 2-methyl-3a,7a-dihydro-1-benzothiophene?
The InChIKey is VYVQTKKMISMRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,8-9H,1H3.
What are the key properties of 2-methyl-3a,7a-dihydro-1-benzothiophene?
2-methyl-3a,7a-dihydro-1-benzothiophene has a molecular weight of 150.25 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3a,7a-dihydro-1-benzothiophene is sourced from PubChem (CID 58760220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).