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

C9H10S — CID 585265

IUPAC3-methyl-2,3-dihydro-1-benzothiophene
SMILESCC1CSc2ccccc21
InChIInChI=1S/C9H10S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyPXUVIKWTMKACRQ-UHFFFAOYSA-N
MW150.25 g/mol
LogP2.90
Rot. Bonds

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

3-methyl-2,3-dihydro-1-benzothiophene (PubChem CID 585265) has the molecular formula C9H10S and a molecular weight of 150.25 g/mol. Its IUPAC name is 3-methyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name3-methyl-2,3-dihydro-1-benzothiophene
PubChem CID585265
Molecular FormulaC9H10S
Molecular Weight150.25 g/mol
Exact Mass150.05
IUPAC Name3-methyl-2,3-dihydro-1-benzothiophene
SMILESCC1CSc2ccccc21
InChIInChI=1S/C9H10S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3
InChIKeyPXUVIKWTMKACRQ-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 3-methyl-2,3-dihydro-1-benzothiophene (CID 585265) is 3-methyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 3-methyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 3-methyl-2,3-dihydro-1-benzothiophene is CC1CSc2ccccc21.
What is the InChIKey of 3-methyl-2,3-dihydro-1-benzothiophene?
The InChIKey is PXUVIKWTMKACRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10S/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3.
What are the key properties of 3-methyl-2,3-dihydro-1-benzothiophene?
3-methyl-2,3-dihydro-1-benzothiophene has a molecular weight of 150.25 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 585265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).