7-methyl-1-benzothiophene

C9H8S — CID 6428541

IUPAC7-methyl-1-benzothiophene
SMILESCc1cccc2ccsc12
InChIInChI=1S/C9H8S/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6H,1H3
InChIKeyPIHVNUSWMTZFBD-UHFFFAOYSA-N
MW148.23 g/mol
LogP3.21
Rot. Bonds

About 7-methyl-1-benzothiophene

7-methyl-1-benzothiophene (PubChem CID 6428541) has the molecular formula C9H8S and a molecular weight of 148.23 g/mol. Its IUPAC name is 7-methyl-1-benzothiophene.

Molecular Properties

Compound Name7-methyl-1-benzothiophene
PubChem CID6428541
Molecular FormulaC9H8S
Molecular Weight148.23 g/mol
Exact Mass148.03
IUPAC Name7-methyl-1-benzothiophene
SMILESCc1cccc2ccsc12
InChIInChI=1S/C9H8S/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6H,1H3
InChIKeyPIHVNUSWMTZFBD-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-benzothiophene?
The IUPAC name of 7-methyl-1-benzothiophene (CID 6428541) is 7-methyl-1-benzothiophene.
What is the SMILES notation for 7-methyl-1-benzothiophene?
The canonical SMILES for 7-methyl-1-benzothiophene is Cc1cccc2ccsc12.
What is the InChIKey of 7-methyl-1-benzothiophene?
The InChIKey is PIHVNUSWMTZFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6H,1H3.
What are the key properties of 7-methyl-1-benzothiophene?
7-methyl-1-benzothiophene has a molecular weight of 148.23 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-benzothiophene is sourced from PubChem (CID 6428541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).